AMBER Archive (2007)

Subject: AMBER: Amber9 parallel compilation openmpi issues

From: Francesco Pietra (chiendarret_at_yahoo.com)
Date: Wed Jul 25 2007 - 01:24:22 CDT

Because the intervening interventions may have blurred the original message
concerning unsuccessful attempts at compiling Amber9 parallel, this is posted
here again. Serial compilation was OK.

openmpi-1.2.3 was compiled on Debian Linux amd64 etch with

./configure CC=/opt/intel/cce/9.1.042/bin/icc
CXX=/opt/intel/cce/9.1.042/bin/icpc F77=/opt/intel/fce/9.1.036/bin/ifort
FC=/opt/intel/fce/9.1.036/bin/ifort --with-libnuma=/usr/lib

Both

ompi_info |grep libnuma

and

ompi_info |grep maffinity

reported positively.

If useful to know:

/usr/local/openmpi-1.2.3/ompi/mpi/f90 (which also contains c cxx f77).

Amber9 parallel compilation was attempted on the same machine by first setting:

export MPI_HOME=/usr/local/openmpi-1.2.3

Then:

make clean

./configure -openmpi ifort_x86_64

(must say that I did not find on the configure help a flag for the intel C
compiler used for openmpi, though probably this is not the issue; the
application is set to use gcc)

make parallel >& errors.log

In attachment: errors.logREN and config.hREN (renamed in order to have true
attachments with gnome of this i386 desktop)

Thanks

francesco pietra

       
____________________________________________________________________________________
Get the free Yahoo! toolbar and rest assured with the added security of spyware protection.
http://new.toolbar.yahoo.com/toolbar/features/norton/index.php


-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu