Subject: Parallel CHARMM

From: Marcos Villarreal <[email-masked]>
Date: Thu, 12 Aug 1999 17:15:33 -0300 (ART)

Dear all,

For a cuple of weeks I been triying to compile a
parralel version of CHARMM 26b1 in my dual PII 266 using Red Hat 6.0 with
the 2.2.5smp kernel. 
I downloaded pvm 3.41, compiled it for smp (with the -DSHMEM key) and run
the examples. All seems to work Ok. Then I compiled CHARMM with
install.com gnu medium P. No errors but parallel don't work.
Then I triyed with a pref.dat with PVM PARALLEL PARAFULL instead the
provided with install.com. I don't worked nether. Also I downloaded the
LAM 6.3 MPI implementation and acording to the test provided with the
distribution it works OK on my machine. Then I compiled with CMPI PARALLEL
PARAFULL in pref.dat. Again no errors diring the compilation but parallel
dont work.

Could anybody please help? Answers (if any) will be summarized.

Thanks in advance.

PhD student Marcos Villarreal
Departamento de Quimica Biologica. 
Facultad de Ciencias Quimicas. 
Universidad Nacional de Cordoba.
Argentina.