Compiling latest nwchem latest snapshot without mpi


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Quote:Edoapra Aug 29th 3:47 pm
Cole
We no longer supported compiling NWChem without MPI.
Could you please send me the output of the command

mpif90 -show


Here is the result:
[cmjohns6@gellmann ~]$ mpif90 -show
gfortran -I/opt/openmpi/include -pthread -I/opt/openmpi/lib -L/opt/openmpi/lib -lmpi_f90 -lmpi_f77 -lmpi -lopen-rte -lopen-pal -ldl -Wl,--export-dynamic -lnsl -lutil -lm -ldl

This also seems strange to me that compilation without MPI is not supported, since one of my group members has very recently compiled nwchem without MPI no problem a month or so ago. How recent was this change? I mean the mpi compilers must be used in either case, but is it really not possible now?

Thanks,
-Cole