Firefly and PC GAMESS-related discussion club

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Alex Granovsky
gran@classic.chem.msu.su

>I am on a 64-bit machine with 1-cpu and 4 core Intel CPU (Core i7 Nehalem).  I've compiled mpich2 and have it running charmm.  But I am having some errors when I try to run Firefly (wrong ELF class errors).  I have seen two recent posts about mpich2, and I realize I need 32-bit libmpich.so.1.1.  My questions are:

>(1) Will this problem go away if a 64-bit firefly is used?  Or is his really mpich problem?

This problem would go away if 64-bit Firefly is used, however, there is no 64-bit Firefly at present. The solution is to compile 32-bit mpich2 on your 64-bit system.

>(2) I have not seen a method to compile mpich2 with both 64-bit and 32-bit libraries, so can I just grab a 32-bit libmpich.so.1.1 from another 32-bit machine?

First, it is easy to compile both 32-bit and 64-bit mpich2 -
actually this is very much like as it can be done with OpenMPI -
and there are several posts on this forum containing details
of this procedure.

As to copying libs from 32-bit system, this may work (and usually works), but may not work as well.

Regards,
Alex Granovsky

>
>
>Best,
>Farid