I’m try compiler NAMD V 2.7 stable but i have the next problem
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PGCC-S-0094-Illegal type conversion required (src/ComputeNonbondedLES.C: 936)
PGCC/x86 Linux 10.9-0: compilation completed with severe errors
make: *** [obj/ComputeNonbondedLES.o] Error 2
make: *** Se espera a que terminen otras tareas....
PGCC-S-0094-Illegal type conversion required (src/ComputeNonbondedStd.C: 936)
PGCC/x86 Linux 10.9-0: compilation completed with severe errors
make: *** [obj/ComputeNonbondedStd.o] Error 2
PGCC-S-0094-Illegal type conversion required (src/ComputeNonbondedFEP.C: 936)
PGCC/x86 Linux 10.9-0: compilation completed with severe errors
make: *** [obj/ComputeNonbondedFEP.o] Error 2
and the log have a lot warnings of variables declarated but never referenced
the compiler option
./config Linux-x86_64-g++.CUDA-PGI --charm-arch multicore-linux64-pgcc --with-cuda
the Linux-x86_64-g++.arch file
NAMD_ARCH = Linux-x86_64
CHARMARCH = multicore-linux64-pgcc
#CXX = g++
#CXXOPTS = -O3 -m64 -fexpensive-optimizations -ffast-math
#CC = gcc
#COPTS = -O3 -m64 -fexpensive-optimizations -ffast-math
CXX = pgCC
CXXOPTS = -O3 -fast -Mipa=fast,inline -Msmartalloc --zc_eh -Mconcur -Mprefetch -tp x64 -O3 -Munroll
CC = pgcc
COPTS = -O3 -fast -Mipa=fast,inline -Msmartalloc -Mconcur -Mprefetch -tp x64 -O3 -Munroll
also compiling charm, the simplehellow example run well but megatest don’t run, the error
*** glibc detected *** ./pgm: free(): invalid pointer: 0x00007fff0149a020 ***
======= Backtrace: =========
/lib/libc.so.6(+0x71ad6)[0x2b0a8a422ad6]
/lib/libc.so.6(cfree+0x6c)[0x2b0a8a42784c]
/opt/pgi/linux86-64/10.9/libso/libC.so(__dl__FPv+0x7c)[0x2b0a8a1493cc]
./pgm(_callthr_threadedTest_void__21CkIndex_callbackCoordSFP12CkThrCallArg+0x1c)[0x4c143c]
======= Memory map: ========
00400000-005ea000 r-xp 00000000 08:03 1317226 /home/lopazo/namd/NAMD_2.7_Source/charm-6.2.2/multicore-linux64-pgcc/tests/charm++/megatest/pgm
007e9000-00826000 rwxp 001e9000 08:03 1317226 /home/lopazo/namd/NAMD_2.7_Source/charm-6.2.2/multicore-linux64-pgcc/tests/charm++/megatest/pgm
00826000-00832000 rwxp 00000000 00:00 0
01429000-014f6000 rwxp 00000000 00:00 0 [heap]
2b0a89615000-2b0a89633000 r-xp 00000000 08:01 526247 /lib/ld-2.11.2.so
2b0a89633000-2b0a89657000 rwxp 00000000 00:00 0
2b0a89832000-2b0a89833000 r-xp 0001d000 08:01 526247 /lib/ld-2.11.2.so
2b0a89833000-2b0a89834000 rwxp 0001e000 08:01 526247 /lib/ld-2.11.2.so
2b0a89834000-2b0a89835000 rwxp 00000000 00:00 0
2b0a89835000-2b0a8984c000 r-xp 00000000 08:01 526236 /lib/libpthread-2.11.2.so
2b0a8984c000-2b0a89a4b000 ---p 00017000 08:01 526236 /lib/libpthread-2.11.2.so
2b0a89a4b000-2b0a89a4c000 r-xp 00016000 08:01 526236 /lib/libpthread-2.11.2.so
2b0a89a4c000-2b0a89a4d000 rwxp 00017000 08:01 526236 /lib/libpthread-2.11.2.so
2b0a89a4d000-2b0a89a52000 rwxp 00000000 00:00 0
2b0a89a52000-2b0a89a54000 r-xp 00000000 08:01 525578 /lib/libdl-2.11.2.so
2b0a89a54000-2b0a89c54000 ---p 00002000 08:01 525578 /lib/libdl-2.11.2.so
2b0a89c54000-2b0a89c55000 r-xp 00002000 08:01 525578 /lib/libdl-2.11.2.so
2b0a89c55000-2b0a89c56000 rwxp 00003000 08:01 525578 /lib/libdl-2.11.2.so
2b0a89c56000-2b0a89cd6000 r-xp 00000000 08:01 526244 /lib/libm-2.11.2.so
2b0a89cd6000-2b0a89ed6000 ---p 00080000 08:01 526244 /lib/libm-2.11.2.so
2b0a89ed6000-2b0a89ed7000 r-xp 00080000 08:01 526244 /lib/libm-2.11.2.so
2b0a89ed7000-2b0a89ed8000 rwxp 00081000 08:01 526244 /lib/libm-2.11.2.so
2b0a89ed8000-2b0a8a025000 r-xp 00000000 08:01 915797 /opt/pgi/linux86-64/10.9/libso/libstd.so
2b0a8a025000-2b0a8a125000 ---p 0014d000 08:01 915797 /opt/pgi/linux86-64/10.9/libso/libstd.so
2b0a8a125000-2b0a8a13e000 rwxp 0014d000 08:01 915797 /opt/pgi/linux86-64/10.9/libso/libstd.so
2b0a8a13e000-2b0a8a143000 rwxp 00000000 00:00 0
2b0a8a143000-2b0a8a152000 r-xp 00000000 08:01 915856 /opt/pgi/linux86-64/10.9/libso/libC.so
2b0a8a152000-2b0a8a252000 ---p 0000f000 08:01 915856 /opt/pgi/linux86-64/10.9/libso/libC.so
2b0a8a252000-2b0a8a253000 rwxp 0000f000 08:01 915856 /opt/pgi/linux86-64/10.9/libso/libC.so
2b0a8a253000-2b0a8a25c000 rwxp 00000000 00:00 0
2b0a8a25c000-2b0a8a29d000 r-xp 00000000 08:01 915805 /opt/pgi/linux86-64/10.9/libso/libpgc.so
2b0a8a29d000-2b0a8a39c000 ---p 00041000 08:01 915805 /opt/pgi/linux86-64/10.9/libso/libpgc.so
2b0a8a39c000-2b0a8a3a4000 rwxp 00040000 08:01 915805 /opt/pgi/linux86-64/10.9/libso/libpgc.so
2b0a8a3a4000-2b0a8a3b1000 rwxp 00000000 00:00 0
2b0a8a3b1000-2b0a8a509000 r-xp 00000000 08:01 525579 /lib/libc-2.11.2.so
2b0a8a509000-2b0a8a708000 ---p 00158000 08:01 525579 /lib/libc-2.11.2.so
2b0a8a708000-2b0a8a70c000 r-xp 00157000 08:01 525579 /lib/libc-2.11.2.so
2b0a8a70c000-2b0a8a70d000 rwxp 0015b000 08:01 525579 /lib/libc-2.11.2.so
2b0a8a70d000-2b0a8a714000 rwxp 00000000 00:00 0
2b0a8a724000-2b0a8a72f000 r-xp 00000000 08:01 525574 /lib/libnss_files-2.11.2.so
2b0a8a72f000-2b0a8a92e000 ---p 0000b000 08:01 525574 /lib/libnss_files-2.11.2.so
2b0a8a92e000-2b0a8a92f000 r-xp 0000a000 08:01 525574 /lib/libnss_files-2.11.2.so
2b0a8a92f000-2b0a8a930000 rwxp 0000b000 08:01 525574 /lib/libnss_files-2.11.2.so
2b0a8a930000-2b0a8aa07000 rwxp 00000000 00:00 0
2b0a8aa17000-2b0a8aa2d000 r-xp 00000000 08:01 521589 /lib/libgcc_s.so.1
2b0a8aa2d000-2b0a8ac2c000 ---p 00016000 08:01 521589 /lib/libgcc_s.so.1
2b0a8ac2c000-2b0a8ac2d000 rwxp 00015000 08:01 521589 /lib/libgcc_s.so.1
2b0a8c000000-2b0a8c021000 rwxp 00000000 00:00 0
2b0a8c021000-2b0a90000000 ---p 00000000 00:00 0
7fff0149a000-7ffffc661000 rwxp 00000000 00:00 0 [stack]
7ffffc661000-7ffffc662000 r-xp 00000000 00:00 0 [vdso]
ffffffffff600000-ffffffffff601000 r-xp 00000000 00:00 0 [vsyscall]
make: *** [test] Abortado
the build is
./build charm++ multicore-linux64 --incdir=/opt/fftw-2.1.5-PGI/include/ --libdir=/opt/fftw-2.1.5-PGI/lib/ -j5 pgcc
the enviroment variable
MANPATH=:/opt/pgi/linux86-64/10.9/man
TERM=xterm
SHELL=/bin/bash
OLDPWD=/home/lopazo/namd/NAMD_2.7_Source/charm-6.2.2/include
SSH_TTY=/dev/pts/0
LD_LIBRARY_PATH=/opt/pgi/linux86-64/10.9/lib:/opt/intel/lib/intel64:/opt/intel/lib:/usr/local/cuda/lib:/home/lopazo/namd/namd-cuda:/usr/local/cuda/lib64:/usr/local/cuda/lib:
PATH=/opt/intel/bin:/usr/local/cuda/bin:/opt/pgi/linux86-64/10.9/bin:/usr/local/cuda/bin:/usr/local/bin:/usr/bin:/bin:/usr/bin/X11:/usr/games
PWD=/home/lopazo/namd/NAMD_2.7_Source/charm-6.2.2
LANG=es_CL.UTF-8
LM_LICENSE_FILE=:/opt/pgi/license.info
CXX=pgCC
SHLVL=1
HOME=/home/lopazo
LANGUAGE=es_CL:es
CFLAGS=-fast -Mipa=fast,inline -Msmartalloc -O3 -Mconcur -Mprefetch -Msafeptr -tp x64
thx