[AMBER] failed to compile Amber11 with mpi on Mac

From: Alan <alanwilter.gmail.com>
Date: Thu, 29 Apr 2010 15:41:20 +0100

Hi there,

It's not clear on the manuals which version of openmpi is required. I
have openmpi-1.3.3 from Fink on my Mac, and I managed to compile pjtraj and
nab with mpi.

Then I try to install amber11. Serial was smooth, test (although long) went
all fine. So parallel...

Using the same successful config.h from AmbertTools with mpi, my attempt
fails with:

mpif90 -c -O3 -mtune=generic -ffree-form -o ips.o _ips.f
cpp -traditional -P -DBINTRAJ -DMPI sander.f > _sander.f
mpif90 -c -O0 -ffree-form -o sander.o _sander.f

   use qmmm_module, only : qmmm_nml,qmmm_struct, deallocate_qmmm, qmmm_mpi,
Error: Symbol 'qmmm_mpi_setup' referenced at (1) not found in module
make[1]: *** [sander.o] Error 1
make: *** [parallel] Error 2

I see that in configure_openmpi is mentioned openmpi 1.4, but should be
1.3.3 OK?

Any ideas about the error above?

Many thanks,

Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
Department of Biochemistry, University of Cambridge.
80 Tennis Court Road, Cambridge CB2 1GA, UK.
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Received on Thu Apr 29 2010 - 08:00:04 PDT
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