Re: [AMBER] PMEMD installation with gfortran

From: case <case.biomaps.rutgers.edu>
Date: Wed, 12 May 2010 08:19:31 -0400

On Tue, May 11, 2010, Senthil Natesan wrote:

> /lib/cpp -traditional -P -DPUBFFT -DMPI -DDIRFRC_EFS -DDIRFRC_COMTRANS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pmemd_lib.fpp pmemd_lib.f90
> pmemd_lib.fpp:40: error: mpif.h: No such file or directory

Note that in your earlier post, you had lines like this:

/lib/cpp -traditional -P -I/usr/mpi/gcc/mvapich-1.1.0/include -DPUBFFT -DMPI
                         ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^

The underlined part above is now missing; it is set up when the configure
script asks where your MPI is located. You need to get the "-I" flag back
in there.

...good luck...dac


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Received on Wed May 12 2010 - 05:30:06 PDT
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