[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.


Sincerely,
Ning
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Aug 04 2022 - 13:35:48 PDT
Custom Search