Dear Ambers,
Thank you for usual support.
I$B!G(Bm now facing with the following error message, that is,
$B!H(BError: out of memory launching kernel kCalculateNMREnergy$B!I(B.
This appeared when I tried REMD with pmemd.cuda.MPI with three GPU cards.
I first doubted memory shortage of GPU cards,
although GPU memories are still available (2800/11000 MiB for each of three
GPU cards)
I$B!G(Bm happy If you give some advices to condition where this message is
returned.
Best regards,
$B!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!(BKurisaki
===========================================
$B7*:j0J5WCK(B/ Ikuo KURISAKI
$B?.8MBg3XBg3X1!%7%9%F%`>pJs3X8&5f2J(B
$B7W;;2J3X.l96!!FCL?9V;U(B/
Graduate School of System Informatics, Kobe University
Department of Computational Science Project-Oriented Lecturer
E-mail: kurisaki.bear.kobe-u.ac.jp
===========================================
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Received on Wed Mar 06 2019 - 00:30:03 PST
