We have just got a new HP cluster installed under RH Linux with PGI v 7.1-6 compiler, which I think is the latest available.
I have been unable to compile g03 after several attempts.
From the make.log, the compilation fails at:
make: Leaving directory `/home/software/g03’
/opt/pgi/linux86-64/7.1/bin/pgf77 -i8 ‘-mcmodel=medium’ -mp=nonuma -O2 -tp p7
-64 -Mreentrant -Mrecursive -Mnosave -Minfo -Mneginfo -time -fast -Munroll -Mvec
t=assoc,recog,cachesize:4194304,prefetch,sse -fastsse -Mscalarsse -g -o g03 ml0.
o util.a bsd/libf77blas-em64t.a bsd/libatlas-em64t.a -lpthread -lm -lc
/usr/pgi/shared/7.1/lib64: file not recognized: Is a directory
make: *** [g03] Error 2
I have no idea why /usr/pgi/shared/7.1/lib64 (which in fact is a directory) is being included in this sentence. I have been looking at the scripts an it seems that all symbols are properly defined…
Any cue will be wellcome
Can you add -v to you link line and post output here? If they are too big, you can send to email@example.com and ask them to send to me.
Is it possible for you to install compilers locally and use that one? I suspect that you have a network install and the compiler driver is looking for a library in /usr/pgi/shared/7.1/lib64. If that is the case, make sure you run makelocalrc on a host that you compile to make sure that host is configured to use the compiler.
What is a hostname? Is there a file /opt/pgi/linux86-64/7.1/bin/localrc.$HOSTNAME ? $HOSTNAME is a name of your machine.
This is a bug for network install with -mp=nonuma. We have filed TPR# 14935 for this. A workaround for now is to do either one of this:
reinstall on a single system instead of network install.
you install on /opt/, my assumption is that /opt is local but I could be wrong. If it is local drive, you can avoid reinstall by running makelocalrc again. For example,
% cd /opt/pgi/linux86-64/7.1-6/bin/; makelocalrc -x /opt/pgi/linux86-64/7.1-6
% cd /opt/pgi/linux86/7.1-6/bin; makelocalrc -x /opt/pgi/linux86/7.1-6
Sorry for the inconvenience and thank you for reporting to us.
Thank you for your answer. I have made a local installation an indeed it works. Gaussian 03 compiles and runs in the compilation host.
My problem is now how do I use the program in the nodes of the cluster out of the master host(where I made the local installation) . At the moment it complains (I expected it…) about
./g03: error while loading shared libraries: libpgbind.so: cannot open shared object file: No such file or directory
I suppose that my licence does not allow to make a local installation in every node of the cluster although I dont need to compile but just run the compiled program…
For a dynamically linked program, you can copy .so libraries in libso and libso-gh(this is for barcelona system) to the system you want to run or your home directory and then set LD_LIBRARY_PATH to that directory.
Edit the file /opt/pgi/linux86-64//7.0-7/bin/x86rc
Out comment this line (two places) set(NUMAOBJS=$if($index($TARGET,linux86,linux86-64),$COMPLIB/nonuma.o))
and insert insted this line