AMBER Archive (2007)

Subject: Re: AMBER: pbsa installation problem

From: David A. Case (case_at_scripps.edu)
Date: Mon Mar 05 2007 - 11:48:13 CST

On Mon, Mar 05, 2007, bala wrote:
>
> We have installed amber8 in our cluster and it is running fine. Now we tried to install pbsa module. When we try to install it, we get the following error. Someone please suggest me what could be the problem/solution.
>
> PBSA Module Location is /nfsexportn277/amber/amber8/src/pbsa
>
> cpp -traditional -P -I/nfsexportn277/amber/amber8/src/include -DMPI
> -I/opt/hpmpi/include -L/opt/hpmpi/lib/linux_amd64 -I/opt/hpmpi/include/64
> pbsa.f > _pbsa.f
>
> pbsa.f:831: #error MPI option is not supported

As the message suggests, you need to compile pbsa in serial mode. Go to
amber8/src, do a "make clean", then a "./configure" with no parallel options.

...good luck...dac

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