[AMBER] One building error with MPI option

From: ning via AMBER <amber.ambermd.org>
Date: Sat, 23 Jul 2022 05:42:33 +0800 (CST)

Hi Amber experts,

     Recently, I plan to build amber20 into my new machine with Ubuntu22.04 LTS operate system. However, when trying to build the mpi version of pmemd and sander, a strange error was happened that :

 testing [C++ / fortran] cross-compile with MPI libs
Error! Unable to compile F90 code with the command:
mpif90 -c testF90_main.F90
Configure failed due to the errors above!

Please help me. The serial version was built successfully. And the gcc version is 7.0, openmpi version is 4.1.2. Besides, I used these commands to install amber20

./configure -mpi gnu, then this error appears.

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Received on Thu Aug 04 2022 - 13:35:48 PDT
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