[molpro-user] Building molpro with 8 byte integers?

Mark Dixon m.c.dixon at leeds.ac.uk
Tue Oct 18 13:08:09 BST 2011


Hi,

I'm looking at building molpro in parallel, using Global Arrays on top of 
an MPI library. I'm a little confused on whether/where I should be 
using 8 byte integer libraries and I was hoping someone could help 
clarify.

I notice that, building molpro on our system, a newish 64-bit RHEL5 box 
with Intel 12.0.2 and associated MKL, "configure" automatically sticks an 
"i8" in the installation path, so I assume it's defaulted to 8 byte 
integers. I assume this is a sensible default.

My dummy questions:

1) If molpro is building with 8 byte integers, should I be linking it to 8 
byte integer versions of MKL?

2) If molpro is building with 8 byte integers, should I be building GA 
with 8 byte integers?

3) If GA is being built with 8 byte integers, should I be linking it to 8 
byte integer versions of MKL?

Sorry about the simple questions :)

Mark
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Mark Dixon                       Email    : m.c.dixon at leeds.ac.uk
HPC/Grid Systems Support         Tel (int): 35429
Information Systems Services     Tel (ext): +44(0)113 343 5429
University of Leeds, LS2 9JT, UK
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