Repeated messages: Unable to open benzene.nw --- appending .nw
Clicked A Few Times
8:32:01 AM PST - Thu, Feb 20th 2020
Dear All

I have started a nwchem job with 28 processors and mpirun
The first 100 or so lines of the output are: (sorry for the bulk!)
argument  1 = benzene.nw

argument  1 = benzene.nw

argument  1 = benzene.nw

argument  1 = benzene.nw

argument  1 = benzene.nw

argument  1 = benzene.nw

argument  1 = benzene.nw

 Unable to open benzene.nw --- appending .nw

 Unable to open benzene.nw --- appending .nw

 Unable to open benzene.nw --- appending .nw

 Unable to open benzene.nw --- appending .nw

 Unable to open benzene.nw --- appending .nw

 Unable to open benzene.nw --- appending .nw

 Unable to open benzene.nw --- appending .nw

argument  1 = benzene.nw

 Unable to open benzene.nw --- appending .nw

argument  1 = benzene.nw

 Unable to open benzene.nw --- appending .nw

argument  1 = benzene.nw

 Unable to open benzene.nw --- appending .nw

argument  1 = benzene.nw

 Unable to open benzene.nw --- appending .nw

argument  1 = benzene.nw

 Unable to open benzene.nw --- appending .nw

argument  1 = benzene.nw

 Unable to open benzene.nw --- appending .nw

argument  1 = benzene.nw

 Unable to open benzene.nw --- appending .nw

argument  1 = benzene.nw

 Unable to open benzene.nw --- appending .nw

argument  1 = benzene.nw

 Unable to open benzene.nw --- appending .nw

argument  1 = benzene.nw

 Unable to open benzene.nw --- appending .nw

argument  1 = benzene.nw

 Unable to open benzene.nw --- appending .nw

argument  1 = benzene.nw

 Unable to open benzene.nw --- appending .nw

argument  1 = benzene.nw

 Unable to open benzene.nw --- appending .nw

argument  1 = benzene.nw

 Unable to open benzene.nw --- appending .nw

argument  1 = benzene.nw

 Unable to open benzene.nw --- appending .nw

argument  1 = benzene.nw

argument  1 = benzene.nw

 Unable to open benzene.nw --- appending .nw

argument  1 = benzene.nw

 Unable to open benzene.nw --- appending .nw

argument  1 = benzene.nw

 Unable to open benzene.nw --- appending .nw

argument  1 = benzene.nw

 Unable to open benzene.nw --- appending .nw

argument  1 = benzene.nw

 Unable to open benzene.nw --- appending .nw

I have counted the times that unable to open appears:
27 times, i.e. one less then the mpi processor count
of 28. The job seems to run in any case, but this
is still somewhat confusing.

Regards

Moritz

Forum Vet
10:44:40 AM PST - Thu, Feb 20th 2020
You are like;y to be using a mpirun command not compatible with the MPI library using for compiling NWChem (for example, NWChem could have been compiled with OpenMPI and you are using mpirun out of MPICH, or you might be using the same MPI implementation, but incompatible versions)

Clicked A Few Times
11:39:06 PM PST - Thu, Feb 20th 2020
Thank you!
Thanks a lot!


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