Dear Amber users,
I have just compiled sander 5 on SGI O2000 using MPICH library. I have
used the shared memory version but the server is almost overload and
parallel calculations are inefficient. Sander MPICH works when I use
cutoff to calculate non bonded interactions. Setting IEWALD and running
on more than 1 CPU makes the program dump core. My question is why? The
disaster happens right at the beginning (before entering the 1st step).
Thanks in advance,
Krzysztof
--
Krzysztof Murzyn
Department of Biophysics
Institute of Molecular Biology
Jagiellonian University
Al. Mickiewicza 3
31-120 Krakow
tel (+48) 12 634 13 55, ext. 213
fax (+48) 12 633 69 07
email murzyn_at_mol.uj.edu.pl
Received on Wed Feb 23 2000 - 09:12:06 PST
