[Wien] VLM's (very large matrices)
Jorissen Kevin
Kevin.Jorissen at ua.ac.be
Thu Jul 1 15:23:48 CEST 2004
Dear WIEN users,
I'm using the wien code compiled with ifc7 and statically linked with mkl6, and I'm trying to push nmatmax as far as it will go. I get crashes (for real system, ie lapw1) above about nmatmax = 12500 (nume is set to 2000 - okay, for systems with few electrons I could gain a little there), corresponding to about 1.7 GB of memory used. At higher values, I get allocation errors, though there is about twice that amount of RAM available.
This appears to be a compiler limitation : on http://support.intel.com/support/performancetools/fortran/linux/sb/CS-007795.htm we read that for IA32 the ifc does not allow arrays larger than 2 GB.
Documentation on the PGI website suggests the same thing will happen.
How do you work around this?
Thank you very much,
Kevin.
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