[gmx-users] Problem in mdrun_mpi using MPICH

Erik Lindahl lindahl at sbc.su.se
Wed Oct 19 18:06:18 CEST 2005

On Oct 19, 2005, at 5:05 PM, Alok wrote:

> Hello Dr. David,
>                        Thanks for your kind reply. Can you guide me  
> how can I compile it with MPICH, previously I used --enable mpi   
> flag for both fftw & groamacs 3.3.
> Thanking you,
> Best Regards,
> Alok

./configure looks for the first instance of "mpicc" in your path,  
which apparently was lam. If you want to use a different compiler  
(e.g. MPICH script) you'll need to set it with the MPICC environment  
variable prior to running configure.



Erik Lindahl  <lindahl at sbc.su.se>
Assistant Professor, Stockholm Bioinformatics Center
Stockholm University, SE 106 91 Stockholm
Phone: +46 8 5537 8564     Fax: +46 8 5537 8214

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