[gmx-users] installation trouble with mpi support

Senthil Kandasamy senthilk at engin.umich.edu
Thu Mar 28 21:43:40 CET 2002

I had installed gromacs without mpi support on the master node of a cluster 
(running linux redhat 7.1)
Now I want to enable parallel runs and install it on the slave nodes also.
so I first did a make distclean.

then ./configure --enable-mpi
I get
checking whether your compiler can handle assembly file (*.s )... no
configure:error :Upgrade your compiler (or disable assembly loops)

and it stops

The version of the c compiler is 2.96. I would obviously not want to 
disable assemble loops for performance reasons. I did not get this error 
earlier when I had compiled Gromacs without mpi support. I am confused.

Are there other compile options that I can try to get around this?

Another question: Now, if I want to compile only mdrun with  mpi support, 
how do  I do it?
Is the following procedure correct?

./configure --enable-mpi (Assuming I get it to work)
make mdrun
make install mdrun

How do  i get a separate mdrun with a different name or a suffix (say 
mdrun-parallel), retaining my original non-mpi  mdrun



ps. or am i better off installing the rpm version??

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