Subject: Parallel CHARMM

From: Marcos Villarreal <[email-masked]>
Date: Wed, 11 Aug 1999 11:36:41 -0400

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