Firefly and PC GAMESS-related discussion club

 
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Panwang Zhou
pwzhou@gmail.com

Recently I upgrade the OS of our cluster to CentOS 7.3, and then I try to install the Firefly 8.2 Linux/OpenMPI v. 1.8.x, dynamically linked version and 2.0.x.

I compile the openmpi with the following commands:
../configure --prefix=/apps/mpi/openmpi/1.8.7/gnu_m32 CC=gcc CXX=g++ FC=gfortran CFLAGS=-m32 CXXFLAGS=-m32 FCFLAGS=-m32
make all install

Then I try to run test jobs and the jobs hang after some normal calculations: Firefly is running and the updating the output file is stopped. This is also for the version 2.0.2.

When I switch to the openmpi 1.6.5, all the calcualtions terminated normally.

So what's the problem for the openmpi 1.8.x and 2.0.x, are there some special compiler parameters needed?

Best Regards!