[gmx-users] 4 processor system

[Anton Feenstra]

shouliang dong wrote:

> I have a 4 cpu system. I compiled gromacs with the flags:
> --enabled-threads --enabled-mpi...... When I run mdrun with -nt 4 (it
> should be use 4 cpu) flag, it showed me that "Fatal error: GROMACS
> compiled without threads support - can only use one thread
[...]

Don't use '-nt 4', use '-np 4' in stead. You want 4 mdrun processes, not 
4 threads (not implemented, yet, as David pointed out).

-- 
Groetjes,

Anton

* NOTE: New Phone & Fax numbers (below) *

  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|(   |   )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands   |
| \_/ \_/ | | | Tel: +31 20 59 87608 - Fax: +31 20 59 87610           |
|             | Feenstra at few.vu.nl - www.few.vu.nl/~feenstra/         |
|             | "If You See Me Getting High, Knock Me Down" (RHCP)    |
|_____________|_______________________________________________________|