Re: [AMBER] Problem with AMBER20 compilation using Intel/20.4 compiler

From: David A Case <david.case.rutgers.edu>
Date: Wed, 24 Mar 2021 16:50:45 -0400

On Wed, Mar 24, 2021, Shawn Brown wrote:
>
>We have been able to compile AMBER20 on Bridges-2 with the Intel compilers
>by ensuring that optimization is turned off for the compilation of ips.F90.

Thanks very much for that information! It will help us in making our build
scripts.

>We will do some further experiments to see potentially which optimization
>is causing the problem. So if you users need help to compile the code,
>please let us know at help.psc.edu, and we will assist in any way we can.

I appreciate that, and apologize for mis-representing the status of
Bridges-2. It would be helpful to our users if there were a module (or
other mechanism) allowing access to gcc9. (I'm cc-ing this to
help.psc.edu.) For what it is worth, the problem seems to be exposed
with gfortan10 (not gcc10 or g++10), but it has proved to be difficult to
track down.

...regards...dave case


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Received on Wed Mar 24 2021 - 14:00:02 PDT
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