From NWChem
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Just Got Here
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| 2:37:31 AM PDT - Tue, Jul 3rd 2012 |
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Hello,
Including these modules in the compilation of either 6.1 or 6.0 NWchem, produces this error:
Fatal compilation error: Out of memory asking for 8192.
compilation aborted for ccsdtq_lambda2_18_2.F (code 1)
for big .F files, like this one mentioned here. This happens when using ifort 11.0.x and 11.1.x version of the compilers with -O3. Using -O2 solves the problem for 11.1.x however not for 11.0.x. Using 12.1.x solves the problem completely even with -O3. ulimit -d is unlimited.
My question would be:
1) how could I lower the optimization flag for just those particular files which are too big?
2) how to keep the -O3 flag for 11.0.x compiler and still fix the problem?
3) use -O2 for 11.0.x and fix the problem?
I hope someone will have some more info on this. Thanks! regards.
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