Ok... the problem is certainly that I made two processes.
But if I made only one process mdrun uses only one cpu...
I want one process (and so I can use constraint forces) that use both cpus.
I know it's possible because I' ve another pc that is working in this
manner.
Beniamino
Mark Abraham ha scritto:
Beniamino Sciacca wrote:
Dear gmx users,
can somebody tell me why I've this problem?
Probably because you don't understand the type of simulation you're
trying to do well enough.
---------------------------------------------------------------
Program mdrun_d, VERSION 3.3.1
Source code file: pullinit.c, line: 244
Fatal error:
Can not do constraint force calculation in parallel!
-------------------------------------------------------
what can I do?
Don't attempt a constraint force calculation in parallel.
Mark
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