From NWChem
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Gets Around
Threads 24
Posts 86
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| 8:12:37 AM PDT - Thu, Jun 5th 2014 |
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I found another way to fix the issue.
https://groups.google.com/forum/#!msg/hpctools/-bYstidUAYA/LqZ38W1f1ukJ
just set
-#define DEFAULT_MAX_NALLOC (4*1024*1024*16)
+#define DEFAULT_MAX_NALLOC (8*1024*1024*16)
Incidentally, nproc=1 with openblas parallelization is 7 times faster than nproc=4.
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