PC GAMESS-related discussion club

volker
v.karuth@netcologne.de

# i recently upgraded my personal system to a Q6600 Kentsfield processor and Vista-OS. Could you provide me the input files of your Kentsfield-Performance tests, as you did with the PC GAMESS v. 7.0 benchmarks on different Intel Pentium 4 family (Netburst) processors.

I doubt if my calculation is running only on 1 node not 4 if compairing to your timings. Just to find out what  i am doing wrong, i attached my input-file.

Thanks a lot

Volker from Cologne, Gemany
-----------------
Answer from Alex Granovsky:

Hi,

you should use mklnp=4 only for tests #2 and #4 as they are the only running in multithreaded mode
as explained on the page you mentioned. For other tests, you need to:

1. Backup you present mpibind.dll file found in the PC GAMESS' home directory.
2. Replace it by the MPIBIND.NT-MPICH-SMP.DLL file found in the BINDINGS folder.
   Note you must manually rename it to mpibind.dll
3. Check if the mpich_smp.dll file is in the PC GAMESS' home directory (it should be there).
4. Read documentation on how to run PC GAMESS in parallel, including at least the following:

readme.commandline
readme.parallel.windows.wmpi
         and finally,
readme.parallel.windows.nt-mpich-smp

5. Run PC GAMESS in parallel as described in readme.parallel.windows.nt-mpich-smp using proper command line switches. For four cores, use -np 4 at the end of command line options.

Best regards,
Alex Granovsky
P.S. Please repost your question to the PC GAMESS' Discussion pages at MSU - I'll repost my answer here too, as it can be helpful for other people too. Please let me know on any possible problems with your registration on the forum.

This message contains the 95 kb attachment [ Q6850.out ] output_file