Re: [AMBER] problem in running AMBER12 in GPU

From: David A Case <>
Date: Wed, 11 Sep 2013 10:31:28 -0400

On Wed, Sep 11, 2013, Sanjib Paul wrote:

> This time I have downloaded mpich-3.0.4.tar.gz. And followed the
> same procedure. But I am getting the same error which I got last time.

Can you say more about exactly what "the same procedure" is?

You should have a directory named "$AMBERHOME/AmberTools/src/mpich-3.0.4"

Inside that directory there should be a file called "configure"

However, it may be necessary for you to upgrade to AmberTools13. What
happened is that the "mpich2" project changed its name to "mpich". So, the
old amber12 script "configure_mpich2" had to be changed slightly. The script
tries to avoid problems like the one you encountered, but it can apparently be
fooled. (I don't know why you didn't get a better error message, since
the "configure_mpich2" script goes to some length to try to make sure that
your environment is correct.)

> > > ./configure_mpich2: line 141: ./configure: No such file or directory
> > > MPICH2 configure failed, returning 127


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Received on Wed Sep 11 2013 - 08:00:02 PDT
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