Re: compiling molcas64 with intel_64 on AMD opteron


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Posted by Steven Vancoillie on May 05, 2011 at 16:58:30:

In Reply to: compiling molcas64 with intel_64 on AMD opteron posted by Irene Shim on April 07, 2011 at 12:24:13:

: I have configured molcas64 with ./configure -64 -compiler intel_64
: thereafter I issue make, and everything is fine untill firstrun is reached.
: The run goes through seward ok, and also through check, but it hangs in scf forever.
: It this a known problem?

Certainly not a known problem. However, I don't think your configure flags are necessary, on 64 bit you can just use ./configure -compiler intel. Please file a bug-report with al relevant information if appropriate.



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