[molpro-user] molpro2006.01 on infiniband and openmpi

Andrew Emerson a.emerson at cineca.it
Mon May 12 11:19:20 BST 2008

Dear All

I am trying to use molpro 2006.01 on a AMD64 opteron cluster with 
infiniband (OFED and openmpi and ACML for the BLAS. I have 
built it with GA version 4.1B, since it wasnt clear to me that earlier 
versions of GA supported this combination. It compiles fine but I run 
into problems when trying to execute simple jobs. For example, with the 
SCF of water given in the user manual I get


0:Segmentation Violation error, status=: 11
   0: ARMCI aborting 11 (0xb).

Any ideas ?

Andy Emerson

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