[molpro-user] Early "ERROR: The problem occurs in writew" message

Brian Prascher bprascher at yahoo.com
Mon Aug 6 22:52:34 BST 2007

Molpro Users,

I have seen this topic come up several times regarding the parallel compilation and execution of Molpro 2002 and 2006, but there do not seem to be any responses or remedies listed. I have compiled Molpro 2006.1 with the PGI compilers in 64-bit on a dual-core Opteron Myrinet cluster. The parallel tools are MPI on top of GM 2.1.3 and GA 4.0. The math libs linked in are those of ATLAS 3.6.0. Upon running a simple test case, the program errors out immediately after allocating memory citing what appears to be either a memory or disk allocation problem. The box I'm testing this compilation on has 8Gb RAM and >500Gb disk, so what is the problem?

Attached is a sample output, any help would be greatly appreciated!

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