That typically occurs if nwchem is linked with MPICH and you are using OpenMPI mpirun. A first, i recommend you double check your environment, and run ldd nwchem the very same Open MPI is used by everyone
Cheers, Gilles On Wednesday, September 14, 2016, abhisek Mondal <abhisek.m...@gmail.com> wrote: > Hi, > I'm on a single socket, 20 threaded machine. > I'm trying to run a job of "nwchem" with parallel processing mode (with > load balancing). > > I was trying with: "mpirun -np 4 nwchem my_file.nw" > But this is launching the same job 4 times in a row and resulting in a > crash. Am I going wrong in this scenario ? > > A little advice would have been really great. > > Thank you. > > > -- > Abhisek Mondal > > *Research Fellow* > > *Structural Biology and Bioinformatics Division* > *CSIR-Indian Institute of Chemical Biology* > > *Kolkata 700032* > > *INDIA* >
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