Error Compiling Armadillo with PGI 15.4

Hi,

I’m trying to compile the Armadillo linear algebra library 5.0 (http://arma.sourceforge.net) with PGI 15.4, and I’m running into some trouble with the way that PGI identifies itself with the preprocessor macros.

Currently, Armadillo looks for GNUG and configures itself appropriately to use some nonstandard GCC extensions, such as __assume_aligned, and other things that don’t seem to be implemented in PGI, such as std::isfinite(x). I think the problem is that PGI identifies itself as GCC via GNUG, and so the preprocessor macros are setup to use the nonstandard GCC extensions.

I’ve reached out to the author of the library, and he’s suggested it’s a problem with the way that GNUG is defined under PGI.

To illustrate the issue, if I compile the following with PGI, I get the following output:

#include <iostream>
#include <armadillo>

using namespace std;
using namespace arma;

int main(int argc, char** argv)
  {
  mat A = randu<mat>(4,5);
  mat B = randu<mat>(4,5);
  
  cout << A*B.t() << endl;

#if defined(__GNUG__) 
cout << "I say I'm gcc!" << endl;
#endif 

#if defined(__PGI) 
cout << "I say I'm PGI!" << endl;
#endif
  return 0;
  }

Output with PGI 15.4:
acerja2@BIC-RTRecon:~/ArmadilloTest$ ./a.out
0.9713 1.3566 0.7946 1.6896
1.2593 1.1457 0.9011 1.6260
1.1954 0.8484 1.0444 1.6753
1.6225 1.5009 1.2935 2.2019

I say I’m gcc!
I say I’m PGI!

Output with gcc 4.9.1:

acerja2@BIC-RTRecon:~/ArmadilloTest$ ./example
0.9713 1.3566 0.7946 1.6896
1.2593 1.1457 0.9011 1.6260
1.1954 0.8484 1.0444 1.6753
1.6225 1.5009 1.2935 2.2019

I say I’m gcc!

Is the compiler intended to identify with both the GNUG and __PGI macros? If so, what is the suggested way to avoid using GCC nonstandard extensions with libraries that are intended to be compiled with multiple compilers?

Thanks,

Alex

GNUG is required for gnu compatibility in the system header files.

pgc++ allows you to override this.
You might get the configuration you are expecting in the code by running your configuration script pgc++ -U__GNUG__ .

Some gnu system header files have been overridden in the PGI include area
to account for unsupported features, so the code should be fine when
compiled pgc++ .

% pgc++ -U__GNUG__ -o xx xx.cc
% ./xx
I say I’m PGI

dave

Hi,

Even using the flag pgc++ -U__GNUG__ -o xx for the compiler, I don’t succeed compiling the armadillo example using PGI compiler.

Can you provide further details for the solution?

Hi rdguerrerom,

What error are you seeing? It seems to work for me. I did some linking errors due to missing BLAS/LAPACK symbols, but adding the appropriate libraries to the link solved it.

% pgc++ test.cpp -I./include -lblas -llapack -w -pgf90libs -V15.9 -U__GNUG__
% a.out
   0.9713   1.3566   0.7946   1.6896
   1.2593   1.1457   0.9011   1.6260
   1.1954   0.8484   1.0444   1.6753
   1.6225   1.5009   1.2935   2.2019

I say I'm PGI!
  • Mat

Hi mkcolg,

Ok, adding the appropriated libraries the example avobe works.

Now I am trying to use the same set of flags in a Makefile to compile all the .cpp files withing a folder(I don’t have experience with Makefiles for PGI compiler) The Makefile that I have is as follows:

CC=pgc++
CFLAGS= -U__GNUG__  -std=c++11 -fast -acc  -Minfo=accel -larmadillo -lgsl -w

all: 
	${CC} ${CFLAGS} *.cpp -o cg
clean:
	rm -Rf cg pgprof* *.o core

It seems that the compilation of the objects is working bu files compiling the final executable. wath is going wrong with this Makefile?

What error are you seeing?

My best guess is that you’re missing the “-L<path_to_libs>” flag so the linker doesn’t know where the Armadillo and gsl libraries are. Though without knowing the error, it’s just a guess.

  • Mat

Thanks for answer.

The errors that I get are:

pgc++ -U__GNUG__  -std=c++11 -fast  -larmadillo -lgsl -w -ta=tesla:manage *.cpp -o HELIOS_PGI.x -L"/usr/local/lib/libarmadillo.so.6.100.0"
Boys.cpp:
ccsd.cpp:
cis.cpp:
davidson.cpp:
diis.cpp:
engine.cpp:
eom_ccsd.cpp:
integrals.cpp:
main.cpp:
mathf.cpp:
molecule.cpp:
mp2.cpp:
nucleus.cpp:
rhf.cpp:
rpa.cpp:
spin_adapted.cpp:
transform.cpp:
cis.o: In function `arma::Col<double>::pod_type arma::op_norm::vec_norm_2<arma::Col<double> >(arma::Proxy<arma::Col<double> > const&, arma::arma_not_cx<arma::Col<double>::elem_type>::result const*)':
/usr/local/include/armadillo_bits/debug.hpp:173: undefined reference to `isfinite'
cis.o: In function `double arma::op_norm::vec_norm_2_direct_std<double>(arma::Mat<double> const&)':
/usr/local/include/armadillo_bits/debug.hpp:173: undefined reference to `isfinite'
cis.o: In function `void arma::arma_ostream::print_elem<double>(std::ostream&, double const&, bool)':
/usr/local/include/armadillo_bits/debug.hpp:173: undefined reference to `isfinite'
cis.o: In function `std::isfinite(double)':
/usr/local/include/armadillo_bits/debug.hpp:173: undefined reference to `isfinite'
cis.o: In function `bool arma::arma_isfinite<double>(double)':
/usr/local/include/armadillo_bits/debug.hpp:173: undefined reference to `isfinite'
davidson.o:davidson.cpp:(.gnu.linkonce.t._ZN4arma7op_norm10vec_norm_2INS_11subview_colIdEEEENT_8pod_typeERKNS_5ProxyIS4_EEPKNS_11arma_not_cxINS4_9elem_typeEE6resultE+0x2bb): more undefined references to `isfinite' follow
pgacclnk: child process exit status 1: /usr/bin/ld
make: *** [all] Error 2

Is important to remark that using g++ the code compiles and links properly.

What GNU version are you using and which GNU version is pgc++ configured to use? (To see which GNU version pgc++ is configured to use “grep GPPDIR64 $PGI/linux86-64/15.10/bin/localrc”)

What might be happening is that the GNU version pgc++ is configured to use for it’s header files and libraries is older so doesn’t support the C+11 isfinite routines. If this is the case, I’ll walk you through how to configure pgc++ to use the newer GNU install.

Also, you can add the verbose (-v) flag to your link to see which system library directories are being used.

Thanks a lot for your help.

I had to use the explicit addres because I don’t have defined the $PGI enviroment variable. Executing the command:

 grep GPPDIR64 /opt/pgi/linux86-64/15.7/bin/localrc

I get:

set GPPDIR64= /usr/include/c++/4.9 /usr/include/x86_64-linux-gnu/c++/4.9 /usr/include/c++/4.9/backward /usr/lib/gcc/x86_64-linux-gnu/4.9/include /usr/local/include /usr/lib/gcc/x86_64-linux-gnu/4.9/include-fixed /usr/include/x86_64-linux-gnu /usr/include;

On the other hand, using the (-v) flag for the compiler, after the command:

~$ make

I get:

pgc++ -U__GNUG__  -std=c++11 -fast -acc  -Minfo=accel -larmadillo -lgsl -w -v *.cpp -o cg
Export PGI=/opt/pgi
Boys.cpp:

/opt/pgi/linux86-64/15.7/bin/pggpp1 --llalign --no_warnings -Dunix -D__unix -D__unix__ -Dlinux -D__linux -D__linux__ -D__NO_MATH_INLINES -D__x86_64 -D__x86_64__ -D__LONG_MAX__=9223372036854775807L '-D__SIZE_TYPE__=unsigned long int' '-D__PTRDIFF_TYPE__=long int' -D__THROW= -D__extension__= -D__amd_64__amd64__ -D__k8 -D__k8__ -D__SSE__ -D__MMX__ -D__SSE2__ -D__SSE3__ -D__SSSE3__ -D__SSE4A__ -D__ABM__ -D__STDC_HOSTED__ -D__PGI -D_GNU_SOURCE -D_PGCG_SOURCE -I/opt/pgi/linux86-64/2015/cuda/7.0/include -I- -I/opt/pgi/linux86-64/15.7/include-gcc49 -I/opt/pgi/linux86-64/15.7/include -I/usr/include/c++/4.9 -I/usr/include/x86_64-linux-gnu/c++/4.9 -I/usr/include/c++/4.9/backward -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include -I/usr/local/include -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include-fixed -I/usr/include/x86_64-linux-gnu -I/usr/include -D_ACCEL=201003 -D_OPENACC=201111 -D__CUDA_API_VERSION=7000 -DPGI_TESLA_TARGET -U__GNUG__ --zc_eh --gnu_version=40901 -D__pgnu_vsn=40901 --c++11 --accel --preinclude stdarg.h --preinclude_macros _cplus_macros.h -q -o /tmp/pgc++XxQctPVdNw1F.il Boys.cpp

/opt/pgi/linux86-64/15.7/bin/pggpp2 Boys.cpp -opt 2 -inform severe -x 119 0xa10000 -x 122 0x40 -x 123 0x1000 -x 127 4 -x 127 17 -x 19 0x400000 -x 28 0x40000 -x 120 0x10000000 -x 70 0x8000 -x 122 1 -x 125 0x20000 -x 117 0x1000 -quad -vect 56 -y 34 16 -x 34 0x8 -x 32 8388608 -y 19 8 -y 35 0 -x 42 0x30 -x 39 0x40 -x 199 10 -x 39 0x80 -x 34 0x400000 -x 149 1 -x 150 1 -x 59 4 -tp bulldozer -x 120 0x1000 -astype 0 -x 121 1 -fn Boys.cpp -il /tmp/pgc++XxQctPVdNw1F.il -x 117 0x600 -x 123 0x80000000 -x 123 4 -x 119 0x20 -def __pgnu_vsn=40901 -alwaysinline /opt/pgi/linux86-64/15.7/lib/libintrinsics.il 4 -autoinl 10 -x 168 100 -x 174 8000 -x 14 0x200000 -x 120 0x200000 -x 70 0x40000000 -accel tesla -accel host -x 186 0x80000 -x 180 0x400 -x 180 0x4000000 -x 163 0x1 -cudaver 7.0 -x 176 0x100 -cudacap 20 -x 121 0xc00 -x 194 0x40000 -x 189 0x8000 -y 163 0xc0000000 -x 189 0x10 -y 189 0x4000000 -x 9 1 -x 42 0x14200000 -x 72 0x1 -x 136 0x11 -quad -x 119 0x10000000 -x 129 0x40000000 -x 129 2 -x 164 0x1000 -x 0 0x1000000 -x 2 0x100000 -x 0 0x2000000 -x 161 16384 -x 162 16384 -gnuvsn 40901 -x 69 0x200 -cmdline '+pgc++ /tmp/pgc++XxQctPVdNw1F.il -U__GNUG__ -std=c++11 -fast -Mvect=sse -Mcache_align -Mflushz -Mpre -acc -Minfo=accel -larmadillo -lgsl -w -v -o cg' -asm /tmp/pgc++bxQcdrtW0zIH.sm
PGCC/x86 Linux 15.7-0: compilation successful

/opt/pgi/linux86-64/15.7/bin/pgsmart -agg 0x62000020 -o /tmp/pgc++jxQcBznxvTtC.s /tmp/pgc++bxQcdrtW0zIH.sm

/usr/bin/as /tmp/pgc++jxQcBznxvTtC.s -I/opt/pgi/linux86-64/2015/cuda/7.0/include/ -o Boys.o
Action(ReadTIFile(./Boys.ti))
ccsd.cpp:

/opt/pgi/linux86-64/15.7/bin/pggpp1 --llalign --no_warnings -Dunix -D__unix -D__unix__ -Dlinux -D__linux -D__linux__ -D__NO_MATH_INLINES -D__x86_64 -D__x86_64__ -D__LONG_MAX__=9223372036854775807L '-D__SIZE_TYPE__=unsigned long int' '-D__PTRDIFF_TYPE__=long int' -D__THROW= -D__extension__= -D__amd_64__amd64__ -D__k8 -D__k8__ -D__SSE__ -D__MMX__ -D__SSE2__ -D__SSE3__ -D__SSSE3__ -D__SSE4A__ -D__ABM__ -D__STDC_HOSTED__ -D__PGI -D_GNU_SOURCE -D_PGCG_SOURCE -I/opt/pgi/linux86-64/2015/cuda/7.0/include -I- -I/opt/pgi/linux86-64/15.7/include-gcc49 -I/opt/pgi/linux86-64/15.7/include -I/usr/include/c++/4.9 -I/usr/include/x86_64-linux-gnu/c++/4.9 -I/usr/include/c++/4.9/backward -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include -I/usr/local/include -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include-fixed -I/usr/include/x86_64-linux-gnu -I/usr/include -D_ACCEL=201003 -D_OPENACC=201111 -D__CUDA_API_VERSION=7000 -DPGI_TESLA_TARGET -U__GNUG__ --zc_eh --gnu_version=40901 -D__pgnu_vsn=40901 --c++11 --accel --preinclude stdarg.h --preinclude_macros _cplus_macros.h -q -o /tmp/pgc++rxQcZKyz-nYy.il ccsd.cpp

/opt/pgi/linux86-64/15.7/bin/pggpp2 ccsd.cpp -opt 2 -inform severe -x 119 0xa10000 -x 122 0x40 -x 123 0x1000 -x 127 4 -x 127 17 -x 19 0x400000 -x 28 0x40000 -x 120 0x10000000 -x 70 0x8000 -x 122 1 -x 125 0x20000 -x 117 0x1000 -quad -vect 56 -y 34 16 -x 34 0x8 -x 32 8388608 -y 19 8 -y 35 0 -x 42 0x30 -x 39 0x40 -x 199 10 -x 39 0x80 -x 34 0x400000 -x 149 1 -x 150 1 -x 59 4 -tp bulldozer -x 120 0x1000 -astype 0 -x 121 1 -fn ccsd.cpp -il /tmp/pgc++rxQcZKyz-nYy.il -x 117 0x600 -x 123 0x80000000 -x 123 4 -x 119 0x20 -def __pgnu_vsn=40901 -alwaysinline /opt/pgi/linux86-64/15.7/lib/libintrinsics.il 4 -autoinl 10 -x 168 100 -x 174 8000 -x 14 0x200000 -x 120 0x200000 -x 70 0x40000000 -accel tesla -accel host -x 186 0x80000 -x 180 0x400 -x 180 0x4000000 -x 163 0x1 -cudaver 7.0 -x 176 0x100 -cudacap 20 -x 121 0xc00 -x 194 0x40000 -x 189 0x8000 -y 163 0xc0000000 -x 189 0x10 -y 189 0x4000000 -x 9 1 -x 42 0x14200000 -x 72 0x1 -x 136 0x11 -quad -x 119 0x10000000 -x 129 0x40000000 -x 129 2 -x 164 0x1000 -x 0 0x1000000 -x 2 0x100000 -x 0 0x2000000 -x 161 16384 -x 162 16384 -gnuvsn 40901 -x 69 0x200 -cmdline '+pgc++ /tmp/pgc++rxQcZKyz-nYy.il -U__GNUG__ -std=c++11 -fast -Mvect=sse -Mcache_align -Mflushz -Mpre -acc -Minfo=accel -larmadillo -lgsl -w -v -o cg' -asm /tmp/pgc++HxQcJKgPVuie.sm
PGCC/x86 Linux 15.7-0: compilation successful

/opt/pgi/linux86-64/15.7/bin/pgsmart -agg 0x62000020 -o /tmp/pgc++PxQc7iBMiTkc.s /tmp/pgc++HxQcJKgPVuie.sm

/usr/bin/as /tmp/pgc++PxQc7iBMiTkc.s -I/opt/pgi/linux86-64/2015/cuda/7.0/include/ -o ccsd.o
Action(ReadTIFile(./ccsd.ti))
cis.cpp:

/opt/pgi/linux86-64/15.7/bin/pggpp1 --llalign --no_warnings -Dunix -D__unix -D__unix__ -Dlinux -D__linux -D__linux__ -D__NO_MATH_INLINES -D__x86_64 -D__x86_64__ -D__LONG_MAX__=9223372036854775807L '-D__SIZE_TYPE__=unsigned long int' '-D__PTRDIFF_TYPE__=long int' -D__THROW= -D__extension__= -D__amd_64__amd64__ -D__k8 -D__k8__ -D__SSE__ -D__MMX__ -D__SSE2__ -D__SSE3__ -D__SSSE3__ -D__SSE4A__ -D__ABM__ -D__STDC_HOSTED__ -D__PGI -D_GNU_SOURCE -D_PGCG_SOURCE -I/opt/pgi/linux86-64/2015/cuda/7.0/include -I- -I/opt/pgi/linux86-64/15.7/include-gcc49 -I/opt/pgi/linux86-64/15.7/include -I/usr/include/c++/4.9 -I/usr/include/x86_64-linux-gnu/c++/4.9 -I/usr/include/c++/4.9/backward -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include -I/usr/local/include -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include-fixed -I/usr/include/x86_64-linux-gnu -I/usr/include -D_ACCEL=201003 -D_OPENACC=201111 -D__CUDA_API_VERSION=7000 -DPGI_TESLA_TARGET -U__GNUG__ --zc_eh --gnu_version=40901 -D__pgnu_vsn=40901 --c++11 --accel --preinclude stdarg.h --preinclude_macros _cplus_macros.h -q -o /tmp/pgc++XxQctquYIgNB.il cis.cpp

/opt/pgi/linux86-64/15.7/bin/pggpp2 cis.cpp -opt 2 -inform severe -x 119 0xa10000 -x 122 0x40 -x 123 0x1000 -x 127 4 -x 127 17 -x 19 0x400000 -x 28 0x40000 -x 120 0x10000000 -x 70 0x8000 -x 122 1 -x 125 0x20000 -x 117 0x1000 -quad -vect 56 -y 34 16 -x 34 0x8 -x 32 8388608 -y 19 8 -y 35 0 -x 42 0x30 -x 39 0x40 -x 199 10 -x 39 0x80 -x 34 0x400000 -x 149 1 -x 150 1 -x 59 4 -tp bulldozer -x 120 0x1000 -astype 0 -x 121 1 -fn cis.cpp -il /tmp/pgc++XxQctquYIgNB.il -x 117 0x600 -x 123 0x80000000 -x 123 4 -x 119 0x20 -def __pgnu_vsn=40901 -alwaysinline /opt/pgi/linux86-64/15.7/lib/libintrinsics.il 4 -autoinl 10 -x 168 100 -x 174 8000 -x 14 0x200000 -x 120 0x200000 -x 70 0x40000000 -accel tesla -accel host -x 186 0x80000 -x 180 0x400 -x 180 0x4000000 -x 163 0x1 -cudaver 7.0 -x 176 0x100 -cudacap 20 -x 121 0xc00 -x 194 0x40000 -x 189 0x8000 -y 163 0xc0000000 -x 189 0x10 -y 189 0x4000000 -x 9 1 -x 42 0x14200000 -x 72 0x1 -x 136 0x11 -quad -x 119 0x10000000 -x 129 0x40000000 -x 129 2 -x 164 0x1000 -x 0 0x1000000 -x 2 0x100000 -x 0 0x2000000 -x 161 16384 -x 162 16384 -gnuvsn 40901 -x 69 0x200 -cmdline '+pgc++ /tmp/pgc++XxQctquYIgNB.il -U__GNUG__ -std=c++11 -fast -Mvect=sse -Mcache_align -Mflushz -Mpre -acc -Minfo=accel -larmadillo -lgsl -w -v -o cg' -asm /tmp/pgc++bxQcdOOSl0Jg.sm
PGCC/x86 Linux 15.7-0: compilation successful

/opt/pgi/linux86-64/15.7/bin/pgsmart -agg 0x62000020 -o /tmp/pgc++jxQcBOnwIZsj.s /tmp/pgc++bxQcdOOSl0Jg.sm

/usr/bin/as /tmp/pgc++jxQcBOnwIZsj.s -I/opt/pgi/linux86-64/2015/cuda/7.0/include/ -o cis.o
Action(ReadTIFile(./cis.ti))
davidson.cpp:

/opt/pgi/linux86-64/15.7/bin/pggpp1 --llalign --no_warnings -Dunix -D__unix -D__unix__ -Dlinux -D__linux -D__linux__ -D__NO_MATH_INLINES -D__x86_64 -D__x86_64__ -D__LONG_MAX__=9223372036854775807L '-D__SIZE_TYPE__=unsigned long int' '-D__PTRDIFF_TYPE__=long int' -D__THROW= -D__extension__= -D__amd_64__amd64__ -D__k8 -D__k8__ -D__SSE__ -D__MMX__ -D__SSE2__ -D__SSE3__ -D__SSSE3__ -D__SSE4A__ -D__ABM__ -D__STDC_HOSTED__ -D__PGI -D_GNU_SOURCE -D_PGCG_SOURCE -I/opt/pgi/linux86-64/2015/cuda/7.0/include -I- -I/opt/pgi/linux86-64/15.7/include-gcc49 -I/opt/pgi/linux86-64/15.7/include -I/usr/include/c++/4.9 -I/usr/include/x86_64-linux-gnu/c++/4.9 -I/usr/include/c++/4.9/backward -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include -I/usr/local/include -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include-fixed -I/usr/include/x86_64-linux-gnu -I/usr/include -D_ACCEL=201003 -D_OPENACC=201111 -D__CUDA_API_VERSION=7000 -DPGI_TESLA_TARGET -U__GNUG__ --zc_eh --gnu_version=40901 -D__pgnu_vsn=40901 --c++11 --accel --preinclude stdarg.h --preinclude_macros _cplus_macros.h -q -o /tmp/pgc++rxQcZRAWogko.il davidson.cpp

/opt/pgi/linux86-64/15.7/bin/pggpp2 davidson.cpp -opt 2 -inform severe -x 119 0xa10000 -x 122 0x40 -x 123 0x1000 -x 127 4 -x 127 17 -x 19 0x400000 -x 28 0x40000 -x 120 0x10000000 -x 70 0x8000 -x 122 1 -x 125 0x20000 -x 117 0x1000 -quad -vect 56 -y 34 16 -x 34 0x8 -x 32 8388608 -y 19 8 -y 35 0 -x 42 0x30 -x 39 0x40 -x 199 10 -x 39 0x80 -x 34 0x400000 -x 149 1 -x 150 1 -x 59 4 -tp bulldozer -x 120 0x1000 -astype 0 -x 121 1 -fn davidson.cpp -il /tmp/pgc++rxQcZRAWogko.il -x 117 0x600 -x 123 0x80000000 -x 123 4 -x 119 0x20 -def __pgnu_vsn=40901 -alwaysinline /opt/pgi/linux86-64/15.7/lib/libintrinsics.il 4 -autoinl 10 -x 168 100 -x 174 8000 -x 14 0x200000 -x 120 0x200000 -x 70 0x40000000 -accel tesla -accel host -x 186 0x80000 -x 180 0x400 -x 180 0x4000000 -x 163 0x1 -cudaver 7.0 -x 176 0x100 -cudacap 20 -x 121 0xc00 -x 194 0x40000 -x 189 0x8000 -y 163 0xc0000000 -x 189 0x10 -y 189 0x4000000 -x 9 1 -x 42 0x14200000 -x 72 0x1 -x 136 0x11 -quad -x 119 0x10000000 -x 129 0x40000000 -x 129 2 -x 164 0x1000 -x 0 0x1000000 -x 2 0x100000 -x 0 0x2000000 -x 161 16384 -x 162 16384 -gnuvsn 40901 -x 69 0x200 -cmdline '+pgc++ /tmp/pgc++rxQcZRAWogko.il -U__GNUG__ -std=c++11 -fast -Mvect=sse -Mcache_align -Mflushz -Mpre -acc -Minfo=accel -larmadillo -lgsl -w -v -o cg' -asm /tmp/pgc++HxQcJBXYEqor.sm
PGCC/x86 Linux 15.7-0: compilation successful

/opt/pgi/linux86-64/15.7/bin/pgsmart -agg 0x62000020 -o /tmp/pgc++PxQc73CDz_mx.s /tmp/pgc++HxQcJBXYEqor.sm

/usr/bin/as /tmp/pgc++PxQc73CDz_mx.s -I/opt/pgi/linux86-64/2015/cuda/7.0/include/ -o davidson.o
Action(ReadTIFile(./davidson.ti))
diis.cpp:

/opt/pgi/linux86-64/15.7/bin/pggpp1 --llalign --no_warnings -Dunix -D__unix -D__unix__ -Dlinux -D__linux -D__linux__ -D__NO_MATH_INLINES -D__x86_64 -D__x86_64__ -D__LONG_MAX__=9223372036854775807L '-D__SIZE_TYPE__=unsigned long int' '-D__PTRDIFF_TYPE__=long int' -D__THROW= -D__extension__= -D__amd_64__amd64__ -D__k8 -D__k8__ -D__SSE__ -D__MMX__ -D__SSE2__ -D__SSE3__ -D__SSSE3__ -D__SSE4A__ -D__ABM__ -D__STDC_HOSTED__ -D__PGI -D_GNU_SOURCE -D_PGCG_SOURCE -I/opt/pgi/linux86-64/2015/cuda/7.0/include -I- -I/opt/pgi/linux86-64/15.7/include-gcc49 -I/opt/pgi/linux86-64/15.7/include -I/usr/include/c++/4.9 -I/usr/include/x86_64-linux-gnu/c++/4.9 -I/usr/include/c++/4.9/backward -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include -I/usr/local/include -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include-fixed -I/usr/include/x86_64-linux-gnu -I/usr/include -D_ACCEL=201003 -D_OPENACC=201111 -D__CUDA_API_VERSION=7000 -DPGI_TESLA_TARGET -U__GNUG__ --zc_eh --gnu_version=40901 -D__pgnu_vsn=40901 --c++11 --accel --preinclude stdarg.h --preinclude_macros _cplus_macros.h -q -o /tmp/pgc++XxQct3Jb09r5.il diis.cpp

/opt/pgi/linux86-64/15.7/bin/pggpp2 diis.cpp -opt 2 -inform severe -x 119 0xa10000 -x 122 0x40 -x 123 0x1000 -x 127 4 -x 127 17 -x 19 0x400000 -x 28 0x40000 -x 120 0x10000000 -x 70 0x8000 -x 122 1 -x 125 0x20000 -x 117 0x1000 -quad -vect 56 -y 34 16 -x 34 0x8 -x 32 8388608 -y 19 8 -y 35 0 -x 42 0x30 -x 39 0x40 -x 199 10 -x 39 0x80 -x 34 0x400000 -x 149 1 -x 150 1 -x 59 4 -tp bulldozer -x 120 0x1000 -astype 0 -x 121 1 -fn diis.cpp -il /tmp/pgc++XxQct3Jb09r5.il -x 117 0x600 -x 123 0x80000000 -x 123 4 -x 119 0x20 -def __pgnu_vsn=40901 -alwaysinline /opt/pgi/linux86-64/15.7/lib/libintrinsics.il 4 -autoinl 10 -x 168 100 -x 174 8000 -x 14 0x200000 -x 120 0x200000 -x 70 0x40000000 -accel tesla -accel host -x 186 0x80000 -x 180 0x400 -x 180 0x4000000 -x 163 0x1 -cudaver 7.0 -x 176 0x100 -cudacap 20 -x 121 0xc00 -x 194 0x40000 -x 189 0x8000 -y 163 0xc0000000 -x 189 0x10 -y 189 0x4000000 -x 9 1 -x 42 0x14200000 -x 72 0x1 -x 136 0x11 -quad -x 119 0x10000000 -x 129 0x40000000 -x 129 2 -x 164 0x1000 -x 0 0x1000000 -x 2 0x100000 -x 0 0x2000000 -x 161 16384 -x 162 16384 -gnuvsn 40901 -x 69 0x200 -cmdline '+pgc++ /tmp/pgc++XxQct3Jb09r5.il -U__GNUG__ -std=c++11 -fast -Mvect=sse -Mcache_align -Mflushz -Mpre -acc -Minfo=accel -larmadillo -lgsl -w -v -o cg' -asm /tmp/pgc++bxQcd-y-KSWU.sm
PGCC/x86 Linux 15.7-0: compilation successful

/opt/pgi/linux86-64/15.7/bin/pgsmart -agg 0x62000020 -o /tmp/pgc++jxQcB3aFpk4t.s /tmp/pgc++bxQcd-y-KSWU.sm

/usr/bin/as /tmp/pgc++jxQcB3aFpk4t.s -I/opt/pgi/linux86-64/2015/cuda/7.0/include/ -o diis.o
Action(ReadTIFile(./diis.ti))
engine.cpp:

/opt/pgi/linux86-64/15.7/bin/pggpp1 --llalign --no_warnings -Dunix -D__unix -D__unix__ -Dlinux -D__linux -D__linux__ -D__NO_MATH_INLINES -D__x86_64 -D__x86_64__ -D__LONG_MAX__=9223372036854775807L '-D__SIZE_TYPE__=unsigned long int' '-D__PTRDIFF_TYPE__=long int' -D__THROW= -D__extension__= -D__amd_64__amd64__ -D__k8 -D__k8__ -D__SSE__ -D__MMX__ -D__SSE2__ -D__SSE3__ -D__SSSE3__ -D__SSE4A__ -D__ABM__ -D__STDC_HOSTED__ -D__PGI -D_GNU_SOURCE -D_PGCG_SOURCE -I/opt/pgi/linux86-64/2015/cuda/7.0/include -I- -I/opt/pgi/linux86-64/15.7/include-gcc49 -I/opt/pgi/linux86-64/15.7/include -I/usr/include/c++/4.9 -I/usr/include/x86_64-linux-gnu/c++/4.9 -I/usr/include/c++/4.9/backward -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include -I/usr/local/include -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include-fixed -I/usr/include/x86_64-linux-gnu -I/usr/include -D_ACCEL=201003 -D_OPENACC=201111 -D__CUDA_API_VERSION=7000 -DPGI_TESLA_TARGET -U__GNUG__ --zc_eh --gnu_version=40901 -D__pgnu_vsn=40901 --c++11 --accel --preinclude stdarg.h --preinclude_macros _cplus_macros.h -q -o /tmp/pgc++rxQcZYNF72Tl.il engine.cpp

/opt/pgi/linux86-64/15.7/bin/pggpp2 engine.cpp -opt 2 -inform severe -x 119 0xa10000 -x 122 0x40 -x 123 0x1000 -x 127 4 -x 127 17 -x 19 0x400000 -x 28 0x40000 -x 120 0x10000000 -x 70 0x8000 -x 122 1 -x 125 0x20000 -x 117 0x1000 -quad -vect 56 -y 34 16 -x 34 0x8 -x 32 8388608 -y 19 8 -y 35 0 -x 42 0x30 -x 39 0x40 -x 199 10 -x 39 0x80 -x 34 0x400000 -x 149 1 -x 150 1 -x 59 4 -tp bulldozer -x 120 0x1000 -astype 0 -x 121 1 -fn engine.cpp -il /tmp/pgc++rxQcZYNF72Tl.il -x 117 0x600 -x 123 0x80000000 -x 123 4 -x 119 0x20 -def __pgnu_vsn=40901 -alwaysinline /opt/pgi/linux86-64/15.7/lib/libintrinsics.il 4 -autoinl 10 -x 168 100 -x 174 8000 -x 14 0x200000 -x 120 0x200000 -x 70 0x40000000 -accel tesla -accel host -x 186 0x80000 -x 180 0x400 -x 180 0x4000000 -x 163 0x1 -cudaver 7.0 -x 176 0x100 -cudacap 20 -x 121 0xc00 -x 194 0x40000 -x 189 0x8000 -y 163 0xc0000000 -x 189 0x10 -y 189 0x4000000 -x 9 1 -x 42 0x14200000 -x 72 0x1 -x 136 0x11 -quad -x 119 0x10000000 -x 129 0x40000000 -x 129 2 -x 164 0x1000 -x 0 0x1000000 -x 2 0x100000 -x 0 0x2000000 -x 161 16384 -x 162 16384 -gnuvsn 40901 -x 69 0x200 -cmdline '+pgc++ /tmp/pgc++rxQcZYNF72Tl.il -U__GNUG__ -std=c++11 -fast -Mvect=sse -Mcache_align -Mflushz -Mpre -acc -Minfo=accel -larmadillo -lgsl -w -v -o cg' -asm /tmp/pgc++HxQcJsxIRt-p.sm
PGCC/x86 Linux 15.7-0: compilation successful

/opt/pgi/linux86-64/15.7/bin/pgsmart -agg 0x62000020 -o /tmp/pgc++PxQc7MXPEwoS.s /tmp/pgc++HxQcJsxIRt-p.sm

/usr/bin/as /tmp/pgc++PxQc7MXPEwoS.s -I/opt/pgi/linux86-64/2015/cuda/7.0/include/ -o engine.o
Action(ReadTIFile(./engine.ti))
eom_ccsd.cpp:

/opt/pgi/linux86-64/15.7/bin/pggpp1 --llalign --no_warnings -Dunix -D__unix -D__unix__ -Dlinux -D__linux -D__linux__ -D__NO_MATH_INLINES -D__x86_64 -D__x86_64__ -D__LONG_MAX__=9223372036854775807L '-D__SIZE_TYPE__=unsigned long int' '-D__PTRDIFF_TYPE__=long int' -D__THROW= -D__extension__= -D__amd_64__amd64__ -D__k8 -D__k8__ -D__SSE__ -D__MMX__ -D__SSE2__ -D__SSE3__ -D__SSSE3__ -D__SSE4A__ -D__ABM__ -D__STDC_HOSTED__ -D__PGI -D_GNU_SOURCE -D_PGCG_SOURCE -I/opt/pgi/linux86-64/2015/cuda/7.0/include -I- -I/opt/pgi/linux86-64/15.7/include-gcc49 -I/opt/pgi/linux86-64/15.7/include -I/usr/include/c++/4.9 -I/usr/include/x86_64-linux-gnu/c++/4.9 -I/usr/include/c++/4.9/backward -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include -I/usr/local/include -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include-fixed -I/usr/include/x86_64-linux-gnu -I/usr/include -D_ACCEL=201003 -D_OPENACC=201111 -D__CUDA_API_VERSION=7000 -DPGI_TESLA_TARGET -U__GNUG__ --zc_eh --gnu_version=40901 -D__pgnu_vsn=40901 --c++11 --accel --preinclude stdarg.h --preinclude_macros _cplus_macros.h -q -o /tmp/pgc++XxQctEEqiMbw.il eom_ccsd.cpp

/opt/pgi/linux86-64/15.7/bin/pggpp2 eom_ccsd.cpp -opt 2 -inform severe -x 119 0xa10000 -x 122 0x40 -x 123 0x1000 -x 127 4 -x 127 17 -x 19 0x400000 -x 28 0x40000 -x 120 0x10000000 -x 70 0x8000 -x 122 1 -x 125 0x20000 -x 117 0x1000 -quad -vect 56 -y 34 16 -x 34 0x8 -x 32 8388608 -y 19 8 -y 35 0 -x 42 0x30 -x 39 0x40 -x 199 10 -x 39 0x80 -x 34 0x400000 -x 149 1 -x 150 1 -x 59 4 -tp bulldozer -x 120 0x1000 -astype 0 -x 121 1 -fn eom_ccsd.cpp -il /tmp/pgc++XxQctEEqiMbw.il -x 117 0x600 -x 123 0x80000000 -x 123 4 -x 119 0x20 -def __pgnu_vsn=40901 -alwaysinline /opt/pgi/linux86-64/15.7/lib/libintrinsics.il 4 -autoinl 10 -x 168 100 -x 174 8000 -x 14 0x200000 -x 120 0x200000 -x 70 0x40000000 -accel tesla -accel host -x 186 0x80000 -x 180 0x400 -x 180 0x4000000 -x 163 0x1 -cudaver 7.0 -x 176 0x100 -cudacap 20 -x 121 0xc00 -x 194 0x40000 -x 189 0x8000 -y 163 0xc0000000 -x 189 0x10 -y 189 0x4000000 -x 9 1 -x 42 0x14200000 -x 72 0x1 -x 136 0x11 -quad -x 119 0x10000000 -x 129 0x40000000 -x 129 2 -x 164 0x1000 -x 0 0x1000000 -x 2 0x100000 -x 0 0x2000000 -x 161 16384 -x 162 16384 -gnuvsn 40901 -x 69 0x200 -cmdline '+pgc++ /tmp/pgc++XxQctEEqiMbw.il -U__GNUG__ -std=c++11 -fast -Mvect=sse -Mcache_align -Mflushz -Mpre -acc -Minfo=accel -larmadillo -lgsl -w -v -o cg' -asm /tmp/pgc++bxQcdwK3y4xh.sm
PGCC/x86 Linux 15.7-0: compilation successful

/opt/pgi/linux86-64/15.7/bin/pgsmart -agg 0x62000020 -o /tmp/pgc++jxQcBgN4vIVq.s /tmp/pgc++bxQcdwK3y4xh.sm

/usr/bin/as /tmp/pgc++jxQcBgN4vIVq.s -I/opt/pgi/linux86-64/2015/cuda/7.0/include/ -o eom_ccsd.o
Action(ReadTIFile(./eom_ccsd.ti))
integrals.cpp:

/opt/pgi/linux86-64/15.7/bin/pggpp1 --llalign --no_warnings -Dunix -D__unix -D__unix__ -Dlinux -D__linux -D__linux__ -D__NO_MATH_INLINES -D__x86_64 -D__x86_64__ -D__LONG_MAX__=9223372036854775807L '-D__SIZE_TYPE__=unsigned long int' '-D__PTRDIFF_TYPE__=long int' -D__THROW= -D__extension__= -D__amd_64__amd64__ -D__k8 -D__k8__ -D__SSE__ -D__MMX__ -D__SSE2__ -D__SSE3__ -D__SSSE3__ -D__SSE4A__ -D__ABM__ -D__STDC_HOSTED__ -D__PGI -D_GNU_SOURCE -D_PGCG_SOURCE -I/opt/pgi/linux86-64/2015/cuda/7.0/include -I- -I/opt/pgi/linux86-64/15.7/include-gcc49 -I/opt/pgi/linux86-64/15.7/include -I/usr/include/c++/4.9 -I/usr/include/x86_64-linux-gnu/c++/4.9 -I/usr/include/c++/4.9/backward -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include -I/usr/local/include -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include-fixed -I/usr/include/x86_64-linux-gnu -I/usr/include -D_ACCEL=201003 -D_OPENACC=201111 -D__CUDA_API_VERSION=7000 -DPGI_TESLA_TARGET -U__GNUG__ --zc_eh --gnu_version=40901 -D__pgnu_vsn=40901 --c++11 --accel --preinclude stdarg.h --preinclude_macros _cplus_macros.h -q -o /tmp/pgc++rxQcZ5-L_ELo.il integrals.cpp

/opt/pgi/linux86-64/15.7/bin/pggpp2 integrals.cpp -opt 2 -inform severe -x 119 0xa10000 -x 122 0x40 -x 123 0x1000 -x 127 4 -x 127 17 -x 19 0x400000 -x 28 0x40000 -x 120 0x10000000 -x 70 0x8000 -x 122 1 -x 125 0x20000 -x 117 0x1000 -quad -vect 56 -y 34 16 -x 34 0x8 -x 32 8388608 -y 19 8 -y 35 0 -x 42 0x30 -x 39 0x40 -x 199 10 -x 39 0x80 -x 34 0x400000 -x 149 1 -x 150 1 -x 59 4 -tp bulldozer -x 120 0x1000 -astype 0 -x 121 1 -fn integrals.cpp -il /tmp/pgc++rxQcZ5-L_ELo.il -x 117 0x600 -x 123 0x80000000 -x 123 4 -x 119 0x20 -def __pgnu_vsn=40901 -alwaysinline /opt/pgi/linux86-64/15.7/lib/libintrinsics.il 4 -autoinl 10 -x 168 100 -x 174 8000 -x 14 0x200000 -x 120 0x200000 -x 70 0x40000000 -accel tesla -accel host -x 186 0x80000 -x 180 0x400 -x 180 0x4000000 -x 163 0x1 -cudaver 7.0 -x 176 0x100 -cudacap 20 -x 121 0xc00 -x 194 0x40000 -x 189 0x8000 -y 163 0xc0000000 -x 189 0x10 -y 189 0x4000000 -x 9 1 -x 42 0x14200000 -x 72 0x1 -x 136 0x11 -quad -x 119 0x10000000 -x 129 0x40000000 -x 129 2 -x 164 0x1000 -x 0 0x1000000 -x 2 0x100000 -x 0 0x2000000 -x 161 16384 -x 162 16384 -gnuvsn 40901 -x 69 0x200 -cmdline '+pgc++ /tmp/pgc++rxQcZ5-L_ELo.il -U__GNUG__ -std=c++11 -fast -Mvect=sse -Mcache_align -Mflushz -Mpre -acc -Minfo=accel -larmadillo -lgsl -w -v -o cg' -asm /tmp/pgc++HxQcJj4Mhvvn.sm
PGCC/x86 Linux 15.7-0: compilation successful

/opt/pgi/linux86-64/15.7/bin/pgsmart -agg 0x62000020 -o /tmp/pgc++PxQc7vzYUfX1.s /tmp/pgc++HxQcJj4Mhvvn.sm

/usr/bin/as /tmp/pgc++PxQc7vzYUfX1.s -I/opt/pgi/linux86-64/2015/cuda/7.0/include/ -o integrals.o
Action(ReadTIFile(./integrals.ti))
main.cpp:

/opt/pgi/linux86-64/15.7/bin/pggpp1 --llalign --no_warnings -Dunix -D__unix -D__unix__ -Dlinux -D__linux -D__linux__ -D__NO_MATH_INLINES -D__x86_64 -D__x86_64__ -D__LONG_MAX__=9223372036854775807L '-D__SIZE_TYPE__=unsigned long int' '-D__PTRDIFF_TYPE__=long int' -D__THROW= -D__extension__= -D__amd_64__amd64__ -D__k8 -D__k8__ -D__SSE__ -D__MMX__ -D__SSE2__ -D__SSE3__ -D__SSSE3__ -D__SSE4A__ -D__ABM__ -D__STDC_HOSTED__ -D__PGI -D_GNU_SOURCE -D_PGCG_SOURCE -I/opt/pgi/linux86-64/2015/cuda/7.0/include -I- -I/opt/pgi/linux86-64/15.7/include-gcc49 -I/opt/pgi/linux86-64/15.7/include -I/usr/include/c++/4.9 -I/usr/include/x86_64-linux-gnu/c++/4.9 -I/usr/include/c++/4.9/backward -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include -I/usr/local/include -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include-fixed -I/usr/include/x86_64-linux-gnu -I/usr/include -D_ACCEL=201003 -D_OPENACC=201111 -D__CUDA_API_VERSION=7000 -DPGI_TESLA_TARGET -U__GNUG__ --zc_eh --gnu_version=40901 -D__pgnu_vsn=40901 --c++11 --accel --preinclude stdarg.h --preinclude_macros _cplus_macros.h -q -o /tmp/pgc++XxQctfe_AjXo.il main.cpp

/opt/pgi/linux86-64/15.7/bin/pggpp2 main.cpp -opt 2 -inform severe -x 119 0xa10000 -x 122 0x40 -x 123 0x1000 -x 127 4 -x 127 17 -x 19 0x400000 -x 28 0x40000 -x 120 0x10000000 -x 70 0x8000 -x 122 1 -x 125 0x20000 -x 117 0x1000 -quad -vect 56 -y 34 16 -x 34 0x8 -x 32 8388608 -y 19 8 -y 35 0 -x 42 0x30 -x 39 0x40 -x 199 10 -x 39 0x80 -x 34 0x400000 -x 149 1 -x 150 1 -x 59 4 -tp bulldozer -x 120 0x1000 -astype 0 -x 121 1 -fn main.cpp -il /tmp/pgc++XxQctfe_AjXo.il -x 117 0x600 -x 123 0x80000000 -x 123 4 -x 119 0x20 -def __pgnu_vsn=40901 -alwaysinline /opt/pgi/linux86-64/15.7/lib/libintrinsics.il 4 -autoinl 10 -x 168 100 -x 174 8000 -x 14 0x200000 -x 120 0x200000 -x 70 0x40000000 -accel tesla -accel host -x 186 0x80000 -x 180 0x400 -x 180 0x4000000 -x 163 0x1 -cudaver 7.0 -x 176 0x100 -cudacap 20 -x 121 0xc00 -x 194 0x40000 -x 189 0x8000 -y 163 0xc0000000 -x 189 0x10 -y 189 0x4000000 -x 9 1 -x 42 0x14200000 -x 72 0x1 -x 136 0x11 -quad -x 119 0x10000000 -x 129 0x40000000 -x 129 2 -x 164 0x1000 -x 0 0x1000000 -x 2 0x100000 -x 0 0x2000000 -x 161 16384 -x 162 16384 -gnuvsn 40901 -x 69 0x200 -cmdline '+pgc++ /tmp/pgc++XxQctfe_AjXo.il -U__GNUG__ -std=c++11 -fast -Mvect=sse -Mcache_align -Mflushz -Mpre -acc -Minfo=accel -larmadillo -lgsl -w -v -o cg' -asm /tmp/pgc++bxQcdTkKnBD9.sm
PGCC/x86 Linux 15.7-0: compilation successful

/opt/pgi/linux86-64/15.7/bin/pgsmart -agg 0x62000020 -o /tmp/pgc++jxQcBvaQKA8u.s /tmp/pgc++bxQcdTkKnBD9.sm

/usr/bin/as /tmp/pgc++jxQcBvaQKA8u.s -I/opt/pgi/linux86-64/2015/cuda/7.0/include/ -o main.o
Action(ReadTIFile(./main.ti))
mathf.cpp:

/opt/pgi/linux86-64/15.7/bin/pggpp1 --llalign --no_warnings -Dunix -D__unix -D__unix__ -Dlinux -D__linux -D__linux__ -D__NO_MATH_INLINES -D__x86_64 -D__x86_64__ -D__LONG_MAX__=9223372036854775807L '-D__SIZE_TYPE__=unsigned long int' '-D__PTRDIFF_TYPE__=long int' -D__THROW= -D__extension__= -D__amd_64__amd64__ -D__k8 -D__k8__ -D__SSE__ -D__MMX__ -D__SSE2__ -D__SSE3__ -D__SSSE3__ -D__SSE4A__ -D__ABM__ -D__STDC_HOSTED__ -D__PGI -D_GNU_SOURCE -D_PGCG_SOURCE -I/opt/pgi/linux86-64/2015/cuda/7.0/include -I- -I/opt/pgi/linux86-64/15.7/include-gcc49 -I/opt/pgi/linux86-64/15.7/include -I/usr/include/c++/4.9 -I/usr/include/x86_64-linux-gnu/c++/4.9 -I/usr/include/c++/4.9/backward -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include -I/usr/local/include -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include-fixed -I/usr/include/x86_64-linux-gnu -I/usr/include -D_ACCEL=201003 -D_OPENACC=201111 -D__CUDA_API_VERSION=7000 -DPGI_TESLA_TARGET -U__GNUG__ --zc_eh --gnu_version=40901 -D__pgnu_vsn=40901 --c++11 --accel --preinclude stdarg.h --preinclude_macros _cplus_macros.h -q -o /tmp/pgc++rxQcZaJcbxuu.il mathf.cpp

/opt/pgi/linux86-64/15.7/bin/pggpp2 mathf.cpp -opt 2 -inform severe -x 119 0xa10000 -x 122 0x40 -x 123 0x1000 -x 127 4 -x 127 17 -x 19 0x400000 -x 28 0x40000 -x 120 0x10000000 -x 70 0x8000 -x 122 1 -x 125 0x20000 -x 117 0x1000 -quad -vect 56 -y 34 16 -x 34 0x8 -x 32 8388608 -y 19 8 -y 35 0 -x 42 0x30 -x 39 0x40 -x 199 10 -x 39 0x80 -x 34 0x400000 -x 149 1 -x 150 1 -x 59 4 -tp bulldozer -x 120 0x1000 -astype 0 -x 121 1 -fn mathf.cpp -il /tmp/pgc++rxQcZaJcbxuu.il -x 117 0x600 -x 123 0x80000000 -x 123 4 -x 119 0x20 -def __pgnu_vsn=40901 -alwaysinline /opt/pgi/linux86-64/15.7/lib/libintrinsics.il 4 -autoinl 10 -x 168 100 -x 174 8000 -x 14 0x200000 -x 120 0x200000 -x 70 0x40000000 -accel tesla -accel host -x 186 0x80000 -x 180 0x400 -x 180 0x4000000 -x 163 0x1 -cudaver 7.0 -x 176 0x100 -cudacap 20 -x 121 0xc00 -x 194 0x40000 -x 189 0x8000 -y 163 0xc0000000 -x 189 0x10 -y 189 0x4000000 -x 9 1 -x 42 0x14200000 -x 72 0x1 -x 136 0x11 -quad -x 119 0x10000000 -x 129 0x40000000 -x 129 2 -x 164 0x1000 -x 0 0x1000000 -x 2 0x100000 -x 0 0x2000000 -x 161 16384 -x 162 16384 -gnuvsn 40901 -x 69 0x200 -cmdline '+pgc++ /tmp/pgc++rxQcZaJcbxuu.il -U__GNUG__ -std=c++11 -fast -Mvect=sse -Mcache_align -Mflushz -Mpre -acc -Minfo=accel -larmadillo -lgsl -w -v -o cg' -asm /tmp/pgc++HxQcJauVqtHw.sm
PGCC/x86 Linux 15.7-0: compilation successful

/opt/pgi/linux86-64/15.7/bin/pgsmart -agg 0x62000020 -o /tmp/pgc++PxQc7euEBNHP.s /tmp/pgc++HxQcJauVqtHw.sm

/usr/bin/as /tmp/pgc++PxQc7euEBNHP.s -I/opt/pgi/linux86-64/2015/cuda/7.0/include/ -o mathf.o
Action(ReadTIFile(./mathf.ti))
molecule.cpp:

/opt/pgi/linux86-64/15.7/bin/pggpp1 --llalign --no_warnings -Dunix -D__unix -D__unix__ -Dlinux -D__linux -D__linux__ -D__NO_MATH_INLINES -D__x86_64 -D__x86_64__ -D__LONG_MAX__=9223372036854775807L '-D__SIZE_TYPE__=unsigned long int' '-D__PTRDIFF_TYPE__=long int' -D__THROW= -D__extension__= -D__amd_64__amd64__ -D__k8 -D__k8__ -D__SSE__ -D__MMX__ -D__SSE2__ -D__SSE3__ -D__SSSE3__ -D__SSE4A__ -D__ABM__ -D__STDC_HOSTED__ -D__PGI -D_GNU_SOURCE -D_PGCG_SOURCE -I/opt/pgi/linux86-64/2015/cuda/7.0/include -I- -I/opt/pgi/linux86-64/15.7/include-gcc49 -I/opt/pgi/linux86-64/15.7/include -I/usr/include/c++/4.9 -I/usr/include/x86_64-linux-gnu/c++/4.9 -I/usr/include/c++/4.9/backward -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include -I/usr/local/include -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include-fixed -I/usr/include/x86_64-linux-gnu -I/usr/include -D_ACCEL=201003 -D_OPENACC=201111 -D__CUDA_API_VERSION=7000 -DPGI_TESLA_TARGET -U__GNUG__ --zc_eh --gnu_version=40901 -D__pgnu_vsn=40901 --c++11 --accel --preinclude stdarg.h --preinclude_macros _cplus_macros.h -q -o /tmp/pgc++XxQctSuP0SJa.il molecule.cpp

/opt/pgi/linux86-64/15.7/bin/pggpp2 molecule.cpp -opt 2 -inform severe -x 119 0xa10000 -x 122 0x40 -x 123 0x1000 -x 127 4 -x 127 17 -x 19 0x400000 -x 28 0x40000 -x 120 0x10000000 -x 70 0x8000 -x 122 1 -x 125 0x20000 -x 117 0x1000 -quad -vect 56 -y 34 16 -x 34 0x8 -x 32 8388608 -y 19 8 -y 35 0 -x 42 0x30 -x 39 0x40 -x 199 10 -x 39 0x80 -x 34 0x400000 -x 149 1 -x 150 1 -x 59 4 -tp bulldozer -x 120 0x1000 -astype 0 -x 121 1 -fn molecule.cpp -il /tmp/pgc++XxQctSuP0SJa.il -x 117 0x600 -x 123 0x80000000 -x 123 4 -x 119 0x20 -def __pgnu_vsn=40901 -alwaysinline /opt/pgi/linux86-64/15.7/lib/libintrinsics.il 4 -autoinl 10 -x 168 100 -x 174 8000 -x 14 0x200000 -x 120 0x200000 -x 70 0x40000000 -accel tesla -accel host -x 186 0x80000 -x 180 0x400 -x 180 0x4000000 -x 163 0x1 -cudaver 7.0 -x 176 0x100 -cudacap 20 -x 121 0xc00 -x 194 0x40000 -x 189 0x8000 -y 163 0xc0000000 -x 189 0x10 -y 189 0x4000000 -x 9 1 -x 42 0x14200000 -x 72 0x1 -x 136 0x11 -quad -x 119 0x10000000 -x 129 0x40000000 -x 129 2 -x 164 0x1000 -x 0 0x1000000 -x 2 0x100000 -x 0 0x2000000 -x 161 16384 -x 162 16384 -gnuvsn 40901 -x 69 0x200 -cmdline '+pgc++ /tmp/pgc++XxQctSuP0SJa.il -U__GNUG__ -std=c++11 -fast -Mvect=sse -Mcache_align -Mflushz -Mpre -acc -Minfo=accel -larmadillo -lgsl -w -v -o cg' -asm /tmp/pgc++bxQcdemuNTz9.sm
PGCC/x86 Linux 15.7-0: compilation successful

/opt/pgi/linux86-64/15.7/bin/pgsmart -agg 0x62000020 -o /tmp/pgc++jxQcBKm6Qsy1.s /tmp/pgc++bxQcdemuNTz9.sm

/usr/bin/as /tmp/pgc++jxQcBKm6Qsy1.s -I/opt/pgi/linux86-64/2015/cuda/7.0/include/ -o molecule.o
Action(ReadTIFile(./molecule.ti))
mp2.cpp:

/opt/pgi/linux86-64/15.7/bin/pggpp1 --llalign --no_warnings -Dunix -D__unix -D__unix__ -Dlinux -D__linux -D__linux__ -D__NO_MATH_INLINES -D__x86_64 -D__x86_64__ -D__LONG_MAX__=9223372036854775807L '-D__SIZE_TYPE__=unsigned long int' '-D__PTRDIFF_TYPE__=long int' -D__THROW= -D__extension__= -D__amd_64__amd64__ -D__k8 -D__k8__ -D__SSE__ -D__MMX__ -D__SSE2__ -D__SSE3__ -D__SSSE3__ -D__SSE4A__ -D__ABM__ -D__STDC_HOSTED__ -D__PGI -D_GNU_SOURCE -D_PGCG_SOURCE -I/opt/pgi/linux86-64/2015/cuda/7.0/include -I- -I/opt/pgi/linux86-64/15.7/include-gcc49 -I/opt/pgi/linux86-64/15.7/include -I/usr/include/c++/4.9 -I/usr/include/x86_64-linux-gnu/c++/4.9 -I/usr/include/c++/4.9/backward -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include -I/usr/local/include -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include-fixed -I/usr/include/x86_64-linux-gnu -I/usr/include -D_ACCEL=201003 -D_OPENACC=201111 -D__CUDA_API_VERSION=7000 -DPGI_TESLA_TARGET -U__GNUG__ --zc_eh --gnu_version=40901 -D__pgnu_vsn=40901 --c++11 --accel --preinclude stdarg.h --preinclude_macros _cplus_macros.h -q -o /tmp/pgc++rxQcZhr0ePUz.il mp2.cpp

/opt/pgi/linux86-64/15.7/bin/pggpp2 mp2.cpp -opt 2 -inform severe -x 119 0xa10000 -x 122 0x40 -x 123 0x1000 -x 127 4 -x 127 17 -x 19 0x400000 -x 28 0x40000 -x 120 0x10000000 -x 70 0x8000 -x 122 1 -x 125 0x20000 -x 117 0x1000 -quad -vect 56 -y 34 16 -x 34 0x8 -x 32 8388608 -y 19 8 -y 35 0 -x 42 0x30 -x 39 0x40 -x 199 10 -x 39 0x80 -x 34 0x400000 -x 149 1 -x 150 1 -x 59 4 -tp bulldozer -x 120 0x1000 -astype 0 -x 121 1 -fn mp2.cpp -il /tmp/pgc++rxQcZhr0ePUz.il -x 117 0x600 -x 123 0x80000000 -x 123 4 -x 119 0x20 -def __pgnu_vsn=40901 -alwaysinline /opt/pgi/linux86-64/15.7/lib/libintrinsics.il 4 -autoinl 10 -x 168 100 -x 174 8000 -x 14 0x200000 -x 120 0x200000 -x 70 0x40000000 -accel tesla -accel host -x 186 0x80000 -x 180 0x400 -x 180 0x4000000 -x 163 0x1 -cudaver 7.0 -x 176 0x100 -cudacap 20 -x 121 0xc00 -x 194 0x40000 -x 189 0x8000 -y 163 0xc0000000 -x 189 0x10 -y 189 0x4000000 -x 9 1 -x 42 0x14200000 -x 72 0x1 -x 136 0x11 -quad -x 119 0x10000000 -x 129 0x40000000 -x 129 2 -x 164 0x1000 -x 0 0x1000000 -x 2 0x100000 -x 0 0x2000000 -x 161 16384 -x 162 16384 -gnuvsn 40901 -x 69 0x200 -cmdline '+pgc++ /tmp/pgc++rxQcZhr0ePUz.il -U__GNUG__ -std=c++11 -fast -Mvect=sse -Mcache_align -Mflushz -Mpre -acc -Minfo=accel -larmadillo -lgsl -w -v -o cg' -asm /tmp/pgc++HxQcJ3QQxr94.sm
PGCC/x86 Linux 15.7-0: compilation successful

/opt/pgi/linux86-64/15.7/bin/pgsmart -agg 0x62000020 -o /tmp/pgc++PxQc7ZHuGPy8.s /tmp/pgc++HxQcJ3QQxr94.sm

/usr/bin/as /tmp/pgc++PxQc7ZHuGPy8.s -I/opt/pgi/linux86-64/2015/cuda/7.0/include/ -o mp2.o
Action(ReadTIFile(./mp2.ti))
nucleus.cpp:

/opt/pgi/linux86-64/15.7/bin/pggpp1 --llalign --no_warnings -Dunix -D__unix -D__unix__ -Dlinux -D__linux -D__linux__ -D__NO_MATH_INLINES -D__x86_64 -D__x86_64__ -D__LONG_MAX__=9223372036854775807L '-D__SIZE_TYPE__=unsigned long int' '-D__PTRDIFF_TYPE__=long int' -D__THROW= -D__extension__= -D__amd_64__amd64__ -D__k8 -D__k8__ -D__SSE__ -D__MMX__ -D__SSE2__ -D__SSE3__ -D__SSSE3__ -D__SSE4A__ -D__ABM__ -D__STDC_HOSTED__ -D__PGI -D_GNU_SOURCE -D_PGCG_SOURCE -I/opt/pgi/linux86-64/2015/cuda/7.0/include -I- -I/opt/pgi/linux86-64/15.7/include-gcc49 -I/opt/pgi/linux86-64/15.7/include -I/usr/include/c++/4.9 -I/usr/include/x86_64-linux-gnu/c++/4.9 -I/usr/include/c++/4.9/backward -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include -I/usr/local/include -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include-fixed -I/usr/include/x86_64-linux-gnu -I/usr/include -D_ACCEL=201003 -D_OPENACC=201111 -D__CUDA_API_VERSION=7000 -DPGI_TESLA_TARGET -U__GNUG__ --zc_eh --gnu_version=40901 -D__pgnu_vsn=40901 --c++11 --accel --preinclude stdarg.h --preinclude_macros _cplus_macros.h -q -o /tmp/pgc++XxQcttqXl1Si.il nucleus.cpp

/opt/pgi/linux86-64/15.7/bin/pggpp2 nucleus.cpp -opt 2 -inform severe -x 119 0xa10000 -x 122 0x40 -x 123 0x1000 -x 127 4 -x 127 17 -x 19 0x400000 -x 28 0x40000 -x 120 0x10000000 -x 70 0x8000 -x 122 1 -x 125 0x20000 -x 117 0x1000 -quad -vect 56 -y 34 16 -x 34 0x8 -x 32 8388608 -y 19 8 -y 35 0 -x 42 0x30 -x 39 0x40 -x 199 10 -x 39 0x80 -x 34 0x400000 -x 149 1 -x 150 1 -x 59 4 -tp bulldozer -x 120 0x1000 -astype 0 -x 121 1 -fn nucleus.cpp -il /tmp/pgc++XxQcttqXl1Si.il -x 117 0x600 -x 123 0x80000000 -x 123 4 -x 119 0x20 -def __pgnu_vsn=40901 -alwaysinline /opt/pgi/linux86-64/15.7/lib/libintrinsics.il 4 -autoinl 10 -x 168 100 -x 174 8000 -x 14 0x200000 -x 120 0x200000 -x 70 0x40000000 -accel tesla -accel host -x 186 0x80000 -x 180 0x400 -x 180 0x4000000 -x 163 0x1 -cudaver 7.0 -x 176 0x100 -cudacap 20 -x 121 0xc00 -x 194 0x40000 -x 189 0x8000 -y 163 0xc0000000 -x 189 0x10 -y 189 0x4000000 -x 9 1 -x 42 0x14200000 -x 72 0x1 -x 136 0x11 -quad -x 119 0x10000000 -x 129 0x40000000 -x 129 2 -x 164 0x1000 -x 0 0x1000000 -x 2 0x100000 -x 0 0x2000000 -x 161 16384 -x 162 16384 -gnuvsn 40901 -x 69 0x200 -cmdline '+pgc++ /tmp/pgc++XxQcttqXl1Si.il -U__GNUG__ -std=c++11 -fast -Mvect=sse -Mcache_align -Mflushz -Mpre -acc -Minfo=accel -larmadillo -lgsl -w -v -o cg' -asm /tmp/pgc++bxQcdBOwWBL0.sm
PGCC/x86 Linux 15.7-0: compilation successful

/opt/pgi/linux86-64/15.7/bin/pgsmart -agg 0x62000020 -o /tmp/pgc++jxQcBZlW7BFh.s /tmp/pgc++bxQcdBOwWBL0.sm

/usr/bin/as /tmp/pgc++jxQcBZlW7BFh.s -I/opt/pgi/linux86-64/2015/cuda/7.0/include/ -o nucleus.o
Action(ReadTIFile(./nucleus.ti))
rhf.cpp:

/opt/pgi/linux86-64/15.7/bin/pggpp1 --llalign --no_warnings -Dunix -D__unix -D__unix__ -Dlinux -D__linux -D__linux__ -D__NO_MATH_INLINES -D__x86_64 -D__x86_64__ -D__LONG_MAX__=9223372036854775807L '-D__SIZE_TYPE__=unsigned long int' '-D__PTRDIFF_TYPE__=long int' -D__THROW= -D__extension__= -D__amd_64__amd64__ -D__k8 -D__k8__ -D__SSE__ -D__MMX__ -D__SSE2__ -D__SSE3__ -D__SSSE3__ -D__SSE4A__ -D__ABM__ -D__STDC_HOSTED__ -D__PGI -D_GNU_SOURCE -D_PGCG_SOURCE -I/opt/pgi/linux86-64/2015/cuda/7.0/include -I- -I/opt/pgi/linux86-64/15.7/include-gcc49 -I/opt/pgi/linux86-64/15.7/include -I/usr/include/c++/4.9 -I/usr/include/x86_64-linux-gnu/c++/4.9 -I/usr/include/c++/4.9/backward -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include -I/usr/local/include -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include-fixed -I/usr/include/x86_64-linux-gnu -I/usr/include -D_ACCEL=201003 -D_OPENACC=201111 -D__CUDA_API_VERSION=7000 -DPGI_TESLA_TARGET -U__GNUG__ --zc_eh --gnu_version=40901 -D__pgnu_vsn=40901 --c++11 --accel --preinclude stdarg.h --preinclude_macros _cplus_macros.h -q -o /tmp/pgc++rxQcZok6xScB.il rhf.cpp

/opt/pgi/linux86-64/15.7/bin/pggpp2 rhf.cpp -opt 2 -inform severe -x 119 0xa10000 -x 122 0x40 -x 123 0x1000 -x 127 4 -x 127 17 -x 19 0x400000 -x 28 0x40000 -x 120 0x10000000 -x 70 0x8000 -x 122 1 -x 125 0x20000 -x 117 0x1000 -quad -vect 56 -y 34 16 -x 34 0x8 -x 32 8388608 -y 19 8 -y 35 0 -x 42 0x30 -x 39 0x40 -x 199 10 -x 39 0x80 -x 34 0x400000 -x 149 1 -x 150 1 -x 59 4 -tp bulldozer -x 120 0x1000 -astype 0 -x 121 1 -fn rhf.cpp -il /tmp/pgc++rxQcZok6xScB.il -x 117 0x600 -x 123 0x80000000 -x 123 4 -x 119 0x20 -def __pgnu_vsn=40901 -alwaysinline /opt/pgi/linux86-64/15.7/lib/libintrinsics.il 4 -autoinl 10 -x 168 100 -x 174 8000 -x 14 0x200000 -x 120 0x200000 -x 70 0x40000000 -accel tesla -accel host -x 186 0x80000 -x 180 0x400 -x 180 0x4000000 -x 163 0x1 -cudaver 7.0 -x 176 0x100 -cudacap 20 -x 121 0xc00 -x 194 0x40000 -x 189 0x8000 -y 163 0xc0000000 -x 189 0x10 -y 189 0x4000000 -x 9 1 -x 42 0x14200000 -x 72 0x1 -x 136 0x11 -quad -x 119 0x10000000 -x 129 0x40000000 -x 129 2 -x 164 0x1000 -x 0 0x1000000 -x 2 0x100000 -x 0 0x2000000 -x 161 16384 -x 162 16384 -gnuvsn 40901 -x 69 0x200 -cmdline '+pgc++ /tmp/pgc++rxQcZok6xScB.il -U__GNUG__ -std=c++11 -fast -Mvect=sse -Mcache_align -Mflushz -Mpre -acc -Minfo=accel -larmadillo -lgsl -w -v -o cg' -asm /tmp/pgc++HxQcJU8hgsQa.sm
PGCC/x86 Linux 15.7-0: compilation successful

/opt/pgi/linux86-64/15.7/bin/pgsmart -agg 0x62000020 -o /tmp/pgc++PxQc7Ic8X87I.s /tmp/pgc++HxQcJU8hgsQa.sm

/usr/bin/as /tmp/pgc++PxQc7Ic8X87I.s -I/opt/pgi/linux86-64/2015/cuda/7.0/include/ -o rhf.o
Action(ReadTIFile(./rhf.ti))
rpa.cpp:

/opt/pgi/linux86-64/15.7/bin/pggpp1 --llalign --no_warnings -Dunix -D__unix -D__unix__ -Dlinux -D__linux -D__linux__ -D__NO_MATH_INLINES -D__x86_64 -D__x86_64__ -D__LONG_MAX__=9223372036854775807L '-D__SIZE_TYPE__=unsigned long int' '-D__PTRDIFF_TYPE__=long int' -D__THROW= -D__extension__= -D__amd_64__amd64__ -D__k8 -D__k8__ -D__SSE__ -D__MMX__ -D__SSE2__ -D__SSE3__ -D__SSSE3__ -D__SSE4A__ -D__ABM__ -D__STDC_HOSTED__ -D__PGI -D_GNU_SOURCE -D_PGCG_SOURCE -I/opt/pgi/linux86-64/2015/cuda/7.0/include -I- -I/opt/pgi/linux86-64/15.7/include-gcc49 -I/opt/pgi/linux86-64/15.7/include -I/usr/include/c++/4.9 -I/usr/include/x86_64-linux-gnu/c++/4.9 -I/usr/include/c++/4.9/backward -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include -I/usr/local/include -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include-fixed -I/usr/include/x86_64-linux-gnu -I/usr/include -D_ACCEL=201003 -D_OPENACC=201111 -D__CUDA_API_VERSION=7000 -DPGI_TESLA_TARGET -U__GNUG__ --zc_eh --gnu_version=40901 -D__pgnu_vsn=40901 --c++11 --accel --preinclude stdarg.h --preinclude_macros _cplus_macros.h -q -o /tmp/pgc++XxQct620A4yd.il rpa.cpp

/opt/pgi/linux86-64/15.7/bin/pggpp2 rpa.cpp -opt 2 -inform severe -x 119 0xa10000 -x 122 0x40 -x 123 0x1000 -x 127 4 -x 127 17 -x 19 0x400000 -x 28 0x40000 -x 120 0x10000000 -x 70 0x8000 -x 122 1 -x 125 0x20000 -x 117 0x1000 -quad -vect 56 -y 34 16 -x 34 0x8 -x 32 8388608 -y 19 8 -y 35 0 -x 42 0x30 -x 39 0x40 -x 199 10 -x 39 0x80 -x 34 0x400000 -x 149 1 -x 150 1 -x 59 4 -tp bulldozer -x 120 0x1000 -astype 0 -x 121 1 -fn rpa.cpp -il /tmp/pgc++XxQct620A4yd.il -x 117 0x600 -x 123 0x80000000 -x 123 4 -x 119 0x20 -def __pgnu_vsn=40901 -alwaysinline /opt/pgi/linux86-64/15.7/lib/libintrinsics.il 4 -autoinl 10 -x 168 100 -x 174 8000 -x 14 0x200000 -x 120 0x200000 -x 70 0x40000000 -accel tesla -accel host -x 186 0x80000 -x 180 0x400 -x 180 0x4000000 -x 163 0x1 -cudaver 7.0 -x 176 0x100 -cudacap 20 -x 121 0xc00 -x 194 0x40000 -x 189 0x8000 -y 163 0xc0000000 -x 189 0x10 -y 189 0x4000000 -x 9 1 -x 42 0x14200000 -x 72 0x1 -x 136 0x11 -quad -x 119 0x10000000 -x 129 0x40000000 -x 129 2 -x 164 0x1000 -x 0 0x1000000 -x 2 0x100000 -x 0 0x2000000 -x 161 16384 -x 162 16384 -gnuvsn 40901 -x 69 0x200 -cmdline '+pgc++ /tmp/pgc++XxQct620A4yd.il -U__GNUG__ -std=c++11 -fast -Mvect=sse -Mcache_align -Mflushz -Mpre -acc -Minfo=accel -larmadillo -lgsl -w -v -o cg' -asm /tmp/pgc++bxQcdYF6n6dq.sm
PGCC/x86 Linux 15.7-0: compilation successful

/opt/pgi/linux86-64/15.7/bin/pgsmart -agg 0x62000020 -o /tmp/pgc++jxQcBc_sKTMF.s /tmp/pgc++bxQcdYF6n6dq.sm

/usr/bin/as /tmp/pgc++jxQcBc_sKTMF.s -I/opt/pgi/linux86-64/2015/cuda/7.0/include/ -o rpa.o
Action(ReadTIFile(./rpa.ti))
spin_adapted.cpp:

/opt/pgi/linux86-64/15.7/bin/pggpp1 --llalign --no_warnings -Dunix -D__unix -D__unix__ -Dlinux -D__linux -D__linux__ -D__NO_MATH_INLINES -D__x86_64 -D__x86_64__ -D__LONG_MAX__=9223372036854775807L '-D__SIZE_TYPE__=unsigned long int' '-D__PTRDIFF_TYPE__=long int' -D__THROW= -D__extension__= -D__amd_64__amd64__ -D__k8 -D__k8__ -D__SSE__ -D__MMX__ -D__SSE2__ -D__SSE3__ -D__SSSE3__ -D__SSE4A__ -D__ABM__ -D__STDC_HOSTED__ -D__PGI -D_GNU_SOURCE -D_PGCG_SOURCE -I/opt/pgi/linux86-64/2015/cuda/7.0/include -I- -I/opt/pgi/linux86-64/15.7/include-gcc49 -I/opt/pgi/linux86-64/15.7/include -I/usr/include/c++/4.9 -I/usr/include/x86_64-linux-gnu/c++/4.9 -I/usr/include/c++/4.9/backward -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include -I/usr/local/include -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include-fixed -I/usr/include/x86_64-linux-gnu -I/usr/include -D_ACCEL=201003 -D_OPENACC=201111 -D__CUDA_API_VERSION=7000 -DPGI_TESLA_TARGET -U__GNUG__ --zc_eh --gnu_version=40901 -D__pgnu_vsn=40901 --c++11 --accel --preinclude stdarg.h --preinclude_macros _cplus_macros.h -q -o /tmp/pgc++rxQcZvotbKxw.il spin_adapted.cpp

/opt/pgi/linux86-64/15.7/bin/pggpp2 spin_adapted.cpp -opt 2 -inform severe -x 119 0xa10000 -x 122 0x40 -x 123 0x1000 -x 127 4 -x 127 17 -x 19 0x400000 -x 28 0x40000 -x 120 0x10000000 -x 70 0x8000 -x 122 1 -x 125 0x20000 -x 117 0x1000 -quad -vect 56 -y 34 16 -x 34 0x8 -x 32 8388608 -y 19 8 -y 35 0 -x 42 0x30 -x 39 0x40 -x 199 10 -x 39 0x80 -x 34 0x400000 -x 149 1 -x 150 1 -x 59 4 -tp bulldozer -x 120 0x1000 -astype 0 -x 121 1 -fn spin_adapted.cpp -il /tmp/pgc++rxQcZvotbKxw.il -x 117 0x600 -x 123 0x80000000 -x 123 4 -x 119 0x20 -def __pgnu_vsn=40901 -alwaysinline /opt/pgi/linux86-64/15.7/lib/libintrinsics.il 4 -autoinl 10 -x 168 100 -x 174 8000 -x 14 0x200000 -x 120 0x200000 -x 70 0x40000000 -accel tesla -accel host -x 186 0x80000 -x 180 0x400 -x 180 0x4000000 -x 163 0x1 -cudaver 7.0 -x 176 0x100 -cudacap 20 -x 121 0xc00 -x 194 0x40000 -x 189 0x8000 -y 163 0xc0000000 -x 189 0x10 -y 189 0x4000000 -x 9 1 -x 42 0x14200000 -x 72 0x1 -x 136 0x11 -quad -x 119 0x10000000 -x 129 0x40000000 -x 129 2 -x 164 0x1000 -x 0 0x1000000 -x 2 0x100000 -x 0 0x2000000 -x 161 16384 -x 162 16384 -gnuvsn 40901 -x 69 0x200 -cmdline '+pgc++ /tmp/pgc++rxQcZvotbKxw.il -U__GNUG__ -std=c++11 -fast -Mvect=sse -Mcache_align -Mflushz -Mpre -acc -Minfo=accel -larmadillo -lgsl -w -v -o cg' -asm /tmp/pgc++HxQcJLj2qsa7.sm
PGCC/x86 Linux 15.7-0: compilation successful

/opt/pgi/linux86-64/15.7/bin/pgsmart -agg 0x62000020 -o /tmp/pgc++PxQc7r273mEs.s /tmp/pgc++HxQcJLj2qsa7.sm

/usr/bin/as /tmp/pgc++PxQc7r273mEs.s -I/opt/pgi/linux86-64/2015/cuda/7.0/include/ -o spin_adapted.o
Action(ReadTIFile(./spin_adapted.ti))
transform.cpp:

/opt/pgi/linux86-64/15.7/bin/pggpp1 --llalign --no_warnings -Dunix -D__unix -D__unix__ -Dlinux -D__linux -D__linux__ -D__NO_MATH_INLINES -D__x86_64 -D__x86_64__ -D__LONG_MAX__=9223372036854775807L '-D__SIZE_TYPE__=unsigned long int' '-D__PTRDIFF_TYPE__=long int' -D__THROW= -D__extension__= -D__amd_64__amd64__ -D__k8 -D__k8__ -D__SSE__ -D__MMX__ -D__SSE2__ -D__SSE3__ -D__SSSE3__ -D__SSE4A__ -D__ABM__ -D__STDC_HOSTED__ -D__PGI -D_GNU_SOURCE -D_PGCG_SOURCE -I/opt/pgi/linux86-64/2015/cuda/7.0/include -I- -I/opt/pgi/linux86-64/15.7/include-gcc49 -I/opt/pgi/linux86-64/15.7/include -I/usr/include/c++/4.9 -I/usr/include/x86_64-linux-gnu/c++/4.9 -I/usr/include/c++/4.9/backward -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include -I/usr/local/include -I/usr/lib/gcc/x86_64-linux-gnu/4.9/include-fixed -I/usr/include/x86_64-linux-gnu -I/usr/include -D_ACCEL=201003 -D_OPENACC=201111 -D__CUDA_API_VERSION=7000 -DPGI_TESLA_TARGET -U__GNUG__ --zc_eh --gnu_version=40901 -D__pgnu_vsn=40901 --c++11 --accel --preinclude stdarg.h --preinclude_macros _cplus_macros.h -q -o /tmp/pgc++XxQctHitryfo.il transform.cpp

/opt/pgi/linux86-64/15.7/bin/pggpp2 transform.cpp -opt 2 -inform severe -x 119 0xa10000 -x 122 0x40 -x 123 0x1000 -x 127 4 -x 127 17 -x 19 0x400000 -x 28 0x40000 -x 120 0x10000000 -x 70 0x8000 -x 122 1 -x 125 0x20000 -x 117 0x1000 -quad -vect 56 -y 34 16 -x 34 0x8 -x 32 8388608 -y 19 8 -y 35 0 -x 42 0x30 -x 39 0x40 -x 199 10 -x 39 0x80 -x 34 0x400000 -x 149 1 -x 150 1 -x 59 4 -tp bulldozer -x 120 0x1000 -astype 0 -x 121 1 -fn transform.cpp -il /tmp/pgc++XxQctHitryfo.il -x 117 0x600 -x 123 0x80000000 -x 123 4 -x 119 0x20 -def __pgnu_vsn=40901 -alwaysinline /opt/pgi/linux86-64/15.7/lib/libintrinsics.il 4 -autoinl 10 -x 168 100 -x 174 8000 -x 14 0x200000 -x 120 0x200000 -x 70 0x40000000 -accel tesla -accel host -x 186 0x80000 -x 180 0x400 -x 180 0x4000000 -x 163 0x1 -cudaver 7.0 -x 176 0x100 -cudacap 20 -x 121 0xc00 -x 194 0x40000 -x 189 0x8000 -y 163 0xc0000000 -x 189 0x10 -y 189 0x4000000 -x 9 1 -x 42 0x14200000 -x 72 0x1 -x 136 0x11 -quad -x 119 0x10000000 -x 129 0x40000000 -x 129 2 -x 164 0x1000 -x 0 0x1000000 -x 2 0x100000 -x 0 0x2000000 -x 161 16384 -x 162 16384 -gnuvsn 40901 -x 69 0x200 -cmdline '+pgc++ /tmp/pgc++XxQctHitryfo.il -U__GNUG__ -std=c++11 -fast -Mvect=sse -Mcache_align -Mflushz -Mpre -acc -Minfo=accel -larmadillo -lgsl -w -v -o cg' -asm /tmp/pgc++bxQcdjYoaQk9.sm
PGCC/x86 Linux 15.7-0: compilation successful

/opt/pgi/linux86-64/15.7/bin/pgsmart -agg 0x62000020 -o /tmp/pgc++jxQcBrJPT7wt.s /tmp/pgc++bxQcdjYoaQk9.sm

/usr/bin/as /tmp/pgc++jxQcBrJPT7wt.s -I/opt/pgi/linux86-64/2015/cuda/7.0/include/ -o transform.o
Action(ReadTIFile(./transform.ti))

/opt/pgi/linux86-64/15.7/bin/pgacclnk -nvidia /opt/pgi/linux86-64/15.7/bin/pgnvd -cuda7.0 -computecap=20 -v /usr/bin/ld /usr/lib/x86_64-linux-gnu/crt1.o /usr/lib/x86_64-linux-gnu/crti.o /opt/pgi/linux86-64/15.7/lib/trace_init.o /usr/lib/gcc/x86_64-linux-gnu/4.9/crtbegin.o /opt/pgi/linux86-64/15.7/lib/initmp.o --eh-frame-hdr -m elf_x86_64 -dynamic-linker /lib64/ld-linux-x86-64.so.2 /opt/pgi/linux86-64/15.7/lib/pgi.ld -L/opt/pgi/linux86-64/15.7/lib -L/usr/lib64 -L/usr/lib/gcc/x86_64-linux-gnu/4.9 -larmadillo -lgsl Boys.o ccsd.o cis.o davidson.o diis.o engine.o eom_ccsd.o integrals.o main.o mathf.o molecule.o mp2.o nucleus.o rhf.o rpa.o spin_adapted.o transform.o -rpath /opt/pgi/linux86-64/15.7/lib -rpath /opt/pgi/linux86-64/2015/cuda/7.0/lib64 -o cg -L/usr/lib/gcc/x86_64-linux-gnu/4.9/../../../../lib64 -laccapi -laccg -laccn -laccg2 -ldl -lcudadevice --eh-frame-hdr -lpgatm -lgcc -lgcc_s -lstdc++ -lpgmp -lnuma -lpthread -lnspgc -lpgc -lm -lgcc -lc -lgcc /usr/lib/gcc/x86_64-linux-gnu/4.9/crtend.o /usr/lib/x86_64-linux-gnu/crtn.o
/opt/pgi/linux86-64/15.7/bin/pgnvd /usr/lib/x86_64-linux-gnu/crt1.o /usr/lib/x86_64-linux-gnu/crti.o /opt/pgi/linux86-64/15.7/lib/trace_init.o /usr/lib/gcc/x86_64-linux-gnu/4.9/crtbegin.o /opt/pgi/linux86-64/15.7/lib/initmp.o -L/opt/pgi/linux86-64/15.7/lib -L/usr/lib64 -L/usr/lib/gcc/x86_64-linux-gnu/4.9 -larmadillo -lgsl Boys.o ccsd.o cis.o davidson.o diis.o engine.o eom_ccsd.o integrals.o main.o mathf.o molecule.o mp2.o nucleus.o rhf.o rpa.o spin_adapted.o transform.o -L/usr/lib/gcc/x86_64-linux-gnu/4.9/../../../../lib64 -laccapi -laccg -laccn -laccg2 -ldl -lcudadevice -lpgatm -lgcc -lgcc_s -lstdc++ -lpgmp -lnuma -lpthread -lnspgc -lpgc -lm -lgcc -lc -lgcc /usr/lib/gcc/x86_64-linux-gnu/4.9/crtend.o /usr/lib/x86_64-linux-gnu/crtn.o -dolink -cuda7.0 -computecap 20 -o /tmp/pgcudatCSc5AGrRqXI.cubin -v
Export LD_LIBRARY_PATH=/opt/pgi/linux86-64/2015/cuda/7.0/nvvm/lib64:/opt/intel/impi/4.1.3.049/intel64/lib:/opt/intel/impi/4.1.3.049/intel64/lib:/opt/intel/composer_xe_2013_sp1.0.080/compiler/lib/intel64:/opt/intel/composer_xe_2013_sp1.0.080/mpirt/lib/intel64:/opt/intel/composer_xe_2013_sp1.0.080/ipp/../compiler/lib/intel64:/opt/intel/composer_xe_2013_sp1.0.080/ipp/lib/intel64:/opt/intel/composer_xe_2013_sp1.0.080/compiler/lib/intel64:/opt/intel/composer_xe_2013_sp1.0.080/mkl/lib/intel64:/opt/intel/composer_xe_2013_sp1.0.080/tbb/lib/intel64/gcc4.4::/usr/local/cuda-7.5/lib64:/home/ruben/lib:/usr/local/lib:/scratch/Ruben_Files/software/magma-1.4.1/lib:/usr/local/libint/1.1.4-stable/lib
Export DYLD_LIBRARY_PATH=/opt/pgi/linux86-64/2015/cuda/7.0/nvvm/lib:
Export PATH=/opt/intel/impi/4.1.3.049/intel64/bin:/opt/intel/impi/4.1.3.049/intel64/bin:/opt/intel/composer_xe_2013_sp1.0.080/bin/intel64:/opt/intel/composer_xe_2013_sp1.0.080/mpirt/bin/intel64:/opt/intel/composer_xe_2013_sp1.0.080/debugger/gdb/intel64_mic/py27/bin:/opt/intel/composer_xe_2013_sp1.0.080/debugger/gdb/intel64/py27/bin:/opt/intel/composer_xe_2013_sp1.0.080/bin/intel64:/opt/intel/composer_xe_2013_sp1.0.080/bin/intel64_mic:/opt/intel/composer_xe_2013_sp1.0.080/debugger/gui/intel64:/home/ruben/bin:/opt/intel/impi/4.1.3.049/intel64/bin:/opt/intel/composer_xe_2013_sp1.0.080/bin/intel64:/opt/intel/composer_xe_2013_sp1.0.080/mpirt/bin/intel64:/opt/intel/composer_xe_2013_sp1.0.080/debugger/gdb/intel64_mic/py27/bin:/opt/intel/composer_xe_2013_sp1.0.080/debugger/gdb/intel64/py27/bin:/opt/intel/composer_xe_2013_sp1.0.080/bin/intel64:/opt/intel/composer_xe_2013_sp1.0.080/bin/intel64_mic:/opt/intel/composer_xe_2013_sp1.0.080/debugger/gui/intel64:/usr/local/bin:/usr/bin:/bin:/usr/games:/usr/local/cuda-7.5/bin:/opt/intel/composer_xe_2011_sp1/bin/:/home/ruben/bin/:/opt/pgi/linux86-64/2015/bin/:/usr/local/cuda-7.5/bin:/opt/intel/composer_xe_2011_sp1/bin/:/home/ruben/bin/:/opt/pgi/linux86-64/2015/bin/

/opt/pgi/linux86-64/2015/cuda/7.0/bin/nvlink --arch=sm_20 -m64 -L/opt/pgi/linux86-64/15.7/lib -L/usr/lib64 -L/usr/lib/gcc/x86_64-linux-gnu/4.9 -L/usr/lib/gcc/x86_64-linux-gnu/4.9/../../../../lib64 /usr/lib/x86_64-linux-gnu/crt1.o /usr/lib/x86_64-linux-gnu/crti.o /opt/pgi/linux86-64/15.7/lib/trace_init.o /usr/lib/gcc/x86_64-linux-gnu/4.9/crtbegin.o /opt/pgi/linux86-64/15.7/lib/initmp.o -larmadillo -lgsl Boys.o ccsd.o cis.o davidson.o diis.o engine.o eom_ccsd.o integrals.o main.o mathf.o molecule.o mp2.o nucleus.o rhf.o rpa.o spin_adapted.o transform.o -laccapi -laccg -laccn -laccg2 -ldl -lcudadevice -lpgatm -lgcc -lgcc_s -lstdc++ -lpgmp -lnuma -lpthread -lnspgc -lpgc -lm -lgcc -lc -lgcc /usr/lib/gcc/x86_64-linux-gnu/4.9/crtend.o /usr/lib/x86_64-linux-gnu/crtn.o -o /tmp/pgcudatCSc5AGrRqXI.cubin
/opt/pgi/linux86-64/15.7/bin/pgnvd -fatobj /tmp/pgcudafatRCScbYdZgwB5.o -o /tmp/pgcudafatRCScbYdZgwB5.o -cuda7.0 -v -sm20 /tmp/pgcudatCSc5AGrRqXI.cubin
Export LD_LIBRARY_PATH=/opt/pgi/linux86-64/2015/cuda/7.0/nvvm/lib64:/opt/intel/impi/4.1.3.049/intel64/lib:/opt/intel/impi/4.1.3.049/intel64/lib:/opt/intel/composer_xe_2013_sp1.0.080/compiler/lib/intel64:/opt/intel/composer_xe_2013_sp1.0.080/mpirt/lib/intel64:/opt/intel/composer_xe_2013_sp1.0.080/ipp/../compiler/lib/intel64:/opt/intel/composer_xe_2013_sp1.0.080/ipp/lib/intel64:/opt/intel/composer_xe_2013_sp1.0.080/compiler/lib/intel64:/opt/intel/composer_xe_2013_sp1.0.080/mkl/lib/intel64:/opt/intel/composer_xe_2013_sp1.0.080/tbb/lib/intel64/gcc4.4::/usr/local/cuda-7.5/lib64:/home/ruben/lib:/usr/local/lib:/scratch/Ruben_Files/software/magma-1.4.1/lib:/usr/local/libint/1.1.4-stable/lib
Export DYLD_LIBRARY_PATH=/opt/pgi/linux86-64/2015/cuda/7.0/nvvm/lib:
Export PATH=/opt/intel/impi/4.1.3.049/intel64/bin:/opt/intel/impi/4.1.3.049/intel64/bin:/opt/intel/composer_xe_2013_sp1.0.080/bin/intel64:/opt/intel/composer_xe_2013_sp1.0.080/mpirt/bin/intel64:/opt/intel/composer_xe_2013_sp1.0.080/debugger/gdb/intel64_mic/py27/bin:/opt/intel/composer_xe_2013_sp1.0.080/debugger/gdb/intel64/py27/bin:/opt/intel/composer_xe_2013_sp1.0.080/bin/intel64:/opt/intel/composer_xe_2013_sp1.0.080/bin/intel64_mic:/opt/intel/composer_xe_2013_sp1.0.080/debugger/gui/intel64:/home/ruben/bin:/opt/intel/impi/4.1.3.049/intel64/bin:/opt/intel/composer_xe_2013_sp1.0.080/bin/intel64:/opt/intel/composer_xe_2013_sp1.0.080/mpirt/bin/intel64:/opt/intel/composer_xe_2013_sp1.0.080/debugger/gdb/intel64_mic/py27/bin:/opt/intel/composer_xe_2013_sp1.0.080/debugger/gdb/intel64/py27/bin:/opt/intel/composer_xe_2013_sp1.0.080/bin/intel64:/opt/intel/composer_xe_2013_sp1.0.080/bin/intel64_mic:/opt/intel/composer_xe_2013_sp1.0.080/debugger/gui/intel64:/usr/local/bin:/usr/bin:/bin:/usr/games:/usr/local/cuda-7.5/bin:/opt/intel/composer_xe_2011_sp1/bin/:/home/ruben/bin/:/opt/pgi/linux86-64/2015/bin/:/usr/local/cuda-7.5/bin:/opt/intel/composer_xe_2011_sp1/bin/:/home/ruben/bin/:/opt/pgi/linux86-64/2015/bin/

/opt/pgi/linux86-64/2015/cuda/7.0/bin/fatbinary --64 --create=/tmp/pgnvdEFScA9Gy0BkG.fat --key=x_dlink --ident=/tmp/pgcudafatRCScbYdZgwB5.o --image=profile=sm_20,file=/tmp/pgcudatCSc5AGrRqXI.cubin

/opt/pgi/linux86-64/15.7/bin/pgimport /tmp/pgnvdEFScA9Gy0BkG.fat /tmp/pgnvdoFScQOOJyfr1.s -var __PGI_CUDA_LOC

/usr/bin/as -o /tmp/pgcudafatRCScbYdZgwB5.o /tmp/pgnvdoFScQOOJyfr1.s
Unlinking /tmp/pgnvdEFScA9Gy0BkG.fat
Unlinking /tmp/pgnvdoFScQOOJyfr1.s
/usr/bin/ld /tmp/pgcudafatRCScbYdZgwB5.o /usr/lib/x86_64-linux-gnu/crt1.o /usr/lib/x86_64-linux-gnu/crti.o /opt/pgi/linux86-64/15.7/lib/trace_init.o /usr/lib/gcc/x86_64-linux-gnu/4.9/crtbegin.o /opt/pgi/linux86-64/15.7/lib/initmp.o --eh-frame-hdr -m elf_x86_64 -dynamic-linker /lib64/ld-linux-x86-64.so.2 /opt/pgi/linux86-64/15.7/lib/pgi.ld -L/opt/pgi/linux86-64/15.7/lib -L/usr/lib64 -L/usr/lib/gcc/x86_64-linux-gnu/4.9 -larmadillo -lgsl Boys.o ccsd.o cis.o davidson.o diis.o engine.o eom_ccsd.o integrals.o main.o mathf.o molecule.o mp2.o nucleus.o rhf.o rpa.o spin_adapted.o transform.o -rpath /opt/pgi/linux86-64/15.7/lib -rpath /opt/pgi/linux86-64/2015/cuda/7.0/lib64 -o cg -L/usr/lib/gcc/x86_64-linux-gnu/4.9/../../../../lib64 -laccapi -laccg -laccn -laccg2 -ldl -lcudadevice --eh-frame-hdr -lpgatm -lgcc -lgcc_s -lstdc++ -lpgmp -lnuma -lpthread -lnspgc -lpgc -lm -lgcc -lc -lgcc /usr/lib/gcc/x86_64-linux-gnu/4.9/crtend.o /usr/lib/x86_64-linux-gnu/crtn.o
cis.o: In function `arma::Col<double>::pod_type arma::op_norm::vec_norm_2<arma::Col<double> >(arma::Proxy<arma::Col<double> > const&, arma::arma_not_cx<arma::Col<double>::elem_type>::result const*)':
/usr/local/include/armadillo_bits/debug.hpp:173: undefined reference to `isfinite'
cis.o: In function `double arma::op_norm::vec_norm_2_direct_std<double>(arma::Mat<double> const&)':
/usr/local/include/armadillo_bits/debug.hpp:173: undefined reference to `isfinite'
cis.o: In function `void arma::arma_ostream::print_elem<double>(std::ostream&, double const&, bool)':
/usr/local/include/armadillo_bits/debug.hpp:173: undefined reference to `isfinite'
cis.o: In function `std::isfinite(double)':
/usr/local/include/armadillo_bits/debug.hpp:173: undefined reference to `isfinite'
cis.o: In function `bool arma::arma_isfinite<double>(double)':
/usr/local/include/armadillo_bits/debug.hpp:173: undefined reference to `isfinite'
davidson.o:davidson.cpp:(.gnu.linkonce.t._ZN4arma7op_norm10vec_norm_2INS_11subview_colIdEEEENT_8pod_typeERKNS_5ProxyIS4_EEPKNS_11arma_not_cxINS4_9elem_typeEE6resultE+0x2bb): more undefined references to `isfinite' follow
pgacclnk: child process exit status 1: /usr/bin/ld
unlink /tmp/pgcudafatRCScbYdZgwB5.o
unlink /tmp/pgcudatCSc5AGrRqXI.cubin
pgc++-Fatal-linker completed with exit code 1

Unlinking /tmp/pgc++XxQctPVdNw1F.il
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make: *** [all] Error 2

I looks like the generation of the object files is OK, but is not the final compilation of the executable.[/code]

Looks like I’m wrong. You’re configured to use GNU 4.9 which should be fine.

I did some digging and think this is a PGI problem. Somehow when C++11 is used, isfinite isn’t getting defined. I sent a problem report to our compiler engineers, TPR#22065. I’ll see about getting you a work around.

Are you able to compile without --c++11?

  • Mat

Yes it compiles, but behaves unexpectedly. The code in which I am working is part of my thesis and I am writing the disertation. My goal is to show some results running on the GPU, therefore any effort to solve this issue as soon as possible will be very appreciated.

As a work around, try replacing Armadillo’s calls to “std::isfinite” with PGI’s runtime call “_pgi_isfiniteff”.

#ifndef _PGI
isf = std::isfinite(x);
#else
isf = _pgi_isfiniteff(x);
#endif
  • Mat

22065 - UF: Undefined reference errors to “isfinite” with C++11

is fixed in the current 16.1 release.

dave