[gmx-users] installation trouble with mpi support
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
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 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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