Must NWchem 6.1 be compiled from source for multi-proc parallel execution?

Gets Around

11:27:44 PM PDT - Wed, Jul 4th 2012
A NWChem newby question: I.e., is the pre-compiled binary version of NWChem 6.1 limited to serial calculations? My systems are openSUSE 12.1 with openmpi v 1.4.3 installed (or openSUSE 11.3 plus openmpi 1.2.8). Thanks, John Keller

Forum Vet

10:06:18 AM PDT - Thu, Jul 5th 2012
Hi John, All our precompiled binaries are serial (or can use low performance sockets with the parallel command). we do not distribute parallel binaries, simply because there are too many versions of MPI libraries, proprietary network libraries, compilers, and processors. We recommend you compile the parallel version yourself following the compile information on the website. Bert Quote:Jwkeller Jul 5th 6:27 am A NWChem newby question: I.e., is the pre-compiled binary version of NWChem 6.1 limited to serial calculations? My systems are openSUSE 12.1 with openmpi v 1.4.3 installed (or openSUSE 11.3 plus openmpi 1.2.8). Thanks, John Keller