| 10:12:49 PM PDT - Thu, Mar 24th 2011 |
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Hi,
I compiled the nwchem-6.0 with Intel 11.x compilers, OpenMPI/1.4.2 and OPENIB flag to use it on the Infiniband em64t cluster. I found the script 'getmem.newchem' in nwchem-6.0/contrib subdirecotry, which was handy to define the preprocessor memory-related directive "-DDFLT_TOT_MEM=value".
However, neither installation nor users' guide has information on how to define the optimum value of ARMCI_DEFAULT_SHMMAX, which must be specified in run-time. Can somebody instruct me how to define the optimum value for ARMCI_DEFAULT_SHMAX ?
Regards,
Ivan Rostov
ANU Supercomputer Facility
Leonard Huxley Bldg #56
The Australian National University
Canberra ACT 0200 Australia
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