Re: [AMBER] Problem in configuring

From: David A Case <>
Date: Thu, 2 Apr 2020 07:50:43 -0400

On Wed, Apr 01, 2020, Sapna Shedge wrote:
>First I load module intel
>then I do ./configure intel

The configure script uses the icc and ifort executables that are in your
PATH. What is the result of typing "which icc" (after loading the intel

>instead it is using /opt/anaconda3/bin/x86_64-conda_cos6-linux-gnu-cc -v to
>find the version.

We don't have any information about what your intel module does, or
how anaconda gets involved. You might also post your PATH variable, in
case that helps. Maybe some of the conda experts on the list will
recognize this issue.

Finally, note that using Intel compilers provides only a minor
performance improvement for most applications. If you are new to Amber,
consider using gnu compilers, and turning to intel later as you need it.

...good luck....dac

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Received on Thu Apr 02 2020 - 05:00:02 PDT
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