error running nwchem openmpi in parallel


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Forum Vet
Rasmus
nwchem_openmpi might be broken on Centos 7/EPEL for the same reason that ELPA is broken.
Anyhow, are you sure that you are using the openmpi mpirun and not the mpich one?
What is the output of the command
which miprun
?

Anyhow, this is what I get (and it does not seem promising)
/usr/lib64/openmpi/bin/mpirun  -np 2 /usr/lib64/openmpi/bin/nwchem_openmpi 
-------------------------------------------------------
Primary job  terminated normally, but 1 process returned
a non-zero exit code.. Per user-direction, the job has been aborted.
-------------------------------------------------------
/usr/lib64/openmpi/bin/nwchem_openmpi: error while loading shared libraries: libmpi.so.1: cannot open shared object file: No such file or directory
/usr/lib64/openmpi/bin/nwchem_openmpi: error while loading shared libraries: libmpi.so.1: cannot open shared object file: No such file or directory
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:

  Process name: [[55611,1],0]
  Exit code:    127
--------------------------------------------------------------------------
[edo@localhost ~]$
$ ls -l /usr/lib64/openmpi/lib/libmpi.so.*
lrwxrwxrwx. 1 root root     16 Mar 30 10:57 /usr/lib64/openmpi/lib/libmpi.so.12 -> libmpi.so.12.0.0
-rwxr-xr-x. 1 root root 863512 Nov 20 10:46 /usr/lib64/openmpi/lib/libmpi.so.12.0.0