[Wien] Intel EMT64 OT

[Atwood, Robert C]

I have installed the package on a cluster using such  processors , and the users haven't complained so far. I don't know what is the largest job they have tried so far  ... 
 I found that it was necessary to use a set of option flags other than the defaults to properly reference the correct 64 bit libraries; if you already understand how the Wien2k installer works then this should be relatively straightforward. Our system is pre-installed by the cluster vendor and so some of the libraries are in nonstandard locations though, so my options may not be suitable for your machine. I had some additional confusion due to the naming and location of the Intel libraries, there is a libraries called libmkl_lapack32.so and libmkl_lapack64.so in the em64t directory and I am still not sure why. I needed to specify the 64 one for it to work.
 
 Anyways here's the OPTIONS in case it helps 
 
 > cat OPTIONS
current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
current:FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
current:LDFLAGS:-pthread
current:DPARALLEL:'-DParallel'
current:R_LIBS:-L/usr/local/Cluster-Apps/intel/mkl/7.21.003/lib/em64t -lmkl -lmkl_lapack64 -lvml -v
current:RP_LIBS:-L /usr/local/SCALAPACK -L /usr/local/BLACS/LIB -lpblas -lredist -ltools -lscalapack -lfblacs -lblacs -lmpi


________________________________

From: wien-bounces at zeus.theochem.tuwien.ac.at on behalf of Michael Gurnett
Sent: Tue 06/09/2005 06:28
To: wien at zeus.theochem.tuwien.ac.at
Subject: [Wien] Intel EMT64 OT


Sorry if the post was off topic, but I've been thinking about the new intel P IV EMT64 processor. Has anyone run Wien2k on it yet? If so does it run ok. Can it properly deal with large matrices and get past the usual memory limitations of the regular PIV (more than 2 Gb matrices).
 
Thanks for your time
 
Michael
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