Hia, The issue with the libmpich.a was the same for me on a 64bit linux with the gfortran 4.5 and mpd. But I don't see that as a big issue, just the documentation could be a little more detailed.
Cheers! Hannes Kopitz External Consultant CI Pharmaceuticals - Service Delivery D41/221 HPC: D041/001 Phone: +49(0)6151 72 23623 Mobil: +49 160 90561864 Fax: +49(0)6151 914526 Email: hannes.kop...@merck.de Merck KGaA Frankfurter Str. 250 D 64293 Darmstadt Home: www.merck.de From: Paul Matthias Diderichsen <pmdiderich...@wequantify.com> To: "nmusers@globomaxnm.com" <nmusers@globomaxnm.com> Date: 30.05.2011 16:52 Subject: [NMusers] NM7.2 with MPI on 64bit linux and ifort 12 Sent by: owner-nmus...@globomaxnm.com Hi, there's been some discussion on how to work with the new parallel computing functions in NM7.2. My apologies, if the scenario below has already been discussed. When trying to run NM7.2 on a 64bit 8-core linux server using ifort 12 as the compiler, it seems that it is necessary to do some mad hacking in order to make MPI work. Ifort 12 comes with it's own MPI implementation, which, however, seems not to play nicely with NM7.2 (mpif90 is missing). Therfore, it is necessary to install mpich2 from the NM7.2 installation, which, however, results in conflicts when linking some 32bit and 64bit components. Here are the steps I had to take in order to make NM7.2, ifort 12, and MPI play nicely together: ### bash start ### # Install mpich2 in /usr/local: cd mpich2-1.2.1p1 ./configure --prefix=/usr/local --with-pm=gforker make make install # libmpich.a from NM7.2 seems to be causing the 32 vs 64 bit confusion. # Overwrite it with the properly compiled version from the mpich2 # installation: cd /opt/nm72/mpi/mpi_lini mv libmpich.a libmpich.a_ cp /usr/local/lib/libmpich.a . # When using the gforker process manager, mpirun is not created... # Manually create a soft link: cd /usr/local/bin ln -s mpiexec mpirun # Run a test in the run directory of the NM7.2 installation: # (Remember to copy the dataset from examples!) ./nmfe72 foce_parallel.ctl foce_parallel.lst -parafile=mpilinux8.pnm "[nodes]=4" 2>&1 ### bash end ### Note, that I am only going to distribute threads on the local machine. Hence the gforker manager that doesn't need to be started up and configured explicitly. If there's a better/less messy way to make this configuration work, I'd be more than happy to learn! Kind regards, -- Paul Matthias Diderichsen, PhD Quantitative Solutions B.V. +31 624 330 706 This message and any attachment are confidential and may be privileged or otherwise protected from disclosure. If you are not the intended recipient, you must not copy this message or attachment or disclose the contents to any other person. If you have received this transmission in error, please notify the sender immediately and delete the message and any attachment from your system. Merck KGaA, Darmstadt, Germany and any of its subsidiaries do not accept liability for any omissions or errors in this message which may arise as a result of E-Mail-transmission or for damages resulting from any unauthorized changes of the content of this message and any attachment thereto. Merck KGaA, Darmstadt, Germany and any of its subsidiaries do not guarantee that this message is free of viruses and does not accept liability for any damages caused by any virus transmitted therewith. Click http://disclaimer.merck.de to access the German, French, Spanish and Portuguese versions of this disclaimer.
