compiling without MPI
Clicked A Few Times
6:23:39 PM PDT - Wed, Jun 26th 2013
(I accidentally posted this in the general forum first, not sure what the protocol is but please delete if necessary.)

I am attempting to compile NWChem 6.3 without any MPI functionality (the motivation for this is that I am have a program which itself uses MPI and calls NWChem several times in parallel; this seems to fail if NWChem itself is compiled with MPI functionality) and my compilation is failing. I don't set the MPI variables at all; the only environment variables I set besides NWCHEM_TOP are

Quote:

export NWCHEM_TARGET LINUX64

export NWCHEM_MODULES all

export LARGE_FILES TRUE

export USE_NOFSCHECK TRUE


My compilation ends with the error:

Quote:

configure: error: test for COMEX_NETWORK=MPI_TS failed
configure: error: ../../ga-5-2/comex/configure failed for comex
make[1]:[build/config.status] Error 1
make: [libraries] Error 1


Does anyone know what causes this? Thanks.

Forum Vet
9:28:10 AM PDT - Thu, Jun 27th 2013
ARMCI_NETWORK=SOCKETS
Simply add the environment variable:

  export ARMCI_NETWORK SOCKETS

The default build assumes it will be building with MPI.

Clicked A Few Times
2:20:49 PM PDT - Thu, Jun 27th 2013
That was the solution, thank you.


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