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

From: Samuel Mohan Dass, Premila <>
Date: Wed, 24 Mar 2021 21:10:22 +0000

Thank you so much for the info and help!
I got contacted yesterday from Marcela via the<> who suggested I do the following,

 edit the config.h file to lower the optimization of the fortran compiler:
FOPTFLAGS=-ip -O0 -xHost
then make install

It seems to have solved the problem.

I been running make test and so far the Amber installation tests has been going well. I was going to update the message here as soon as the tests are over. Thank you for all the help!

On Mar 24, 2021, at 3:50 PM, David A Case <<>> wrote:

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

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<>, 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<>.) 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 - 14:30:02 PDT
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