[gmx-users] pulling code
taeho.kim at utoronto.ca
Fri Jun 20 18:11:01 CEST 2003
I was wondering whether the pull code (Gromac3.1.5_pre1 ver) can be run on a dual CPU Mac. or 3.1.5_pre1 works fine only on a single process machine.
Do I have to install a current cvs ver to run a job on dual CPU ?
I attempted to install and run the CVS version as of June 18th, everything compiled nicely. However, when I tried to run gmxdemo i received an error during the genbox processing:
*** malloc_zone_calloc: arguments too large: -2,4
Fatal error: calloc for grid->index (nelem=-2, elsize=4, file nsgrid.c, line 77): No such file or directory
Also it says "box margin = 0" which is unusual
(running version fftw-2.1.3 on Mac OS X)
On Linux system without enable-mpi, I had similar problem too .
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