[AMBER] Installation: Amber24 with MVAPICH2-GDR

From: Nitin Kulhar via AMBER <amber.ambermd.org>
Date: Mon, 7 Oct 2024 18:55:30 +0530

Dear all

I am keen on seeing some speedup
on multi-node multi-gpu tasks, e.g. with
pmemd.cuda.MPI (Amber24).

Therefore, I am writing to inquire
about the recommended version of
cuda drivers (and GNU compilers) with
which to install mvapich2-gdr.2.3.7
for subsequently building Amber24
executables with cuda and/or mpi
support.

I am also unclear on whether the
following switches can be
simultaneously turned on while
configuring Amber24:
-DCUDA
-DMVAPICH2GDR_GPU_DIRECT_COMM
-DMPI

Thanks and regards
Nitin Kulhar 

-- 
Disclaimer:- This footer text is to convey that this email is sent by one 
of the users of IITH. So, do not mark it as SPAM.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Oct 07 2024 - 06:30:02 PDT
Custom Search