From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Tue Oct 11 2016 - 00:33:25 CDT
To use GPUs, you’d need to build a CUDA enabled version. Why don’t you just use a pre-compiled version, it might be the easiest if you do not plan to use a highspeed network:
Linux-x86_64-multicore-CUDA
<http://www.ks.uiuc.edu/Development/Download/download.cgi?UserID=&AccessCode=&ArchiveID=1399> http://www.ks.uiuc.edu/Development/Download/download.cgi?UserID=&AccessCode=&ArchiveID=1399
Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im Auftrag von sunyeping
Gesendet: Dienstag, 11. Oktober 2016 04:55
An: namd-l <namd-l_at_ks.uiuc.edu>; Norman Geist <norman.geist_at_uni-greifswald.de>
Betreff: namd-l: Re: AW: namd-l: Reason: FATAL ERROR: Unknown command-line option ++local
Thank you, Prof. Geist.
But I find the program doesn't call GPU automatically. Shouldn't the code automatically use GPU after being compiled?
Best regards.
Yeping
------------------------------------------------------------------
From:Norman Geist <norman.geist_at_uni-greifswald.de <mailto:norman.geist_at_uni-greifswald.de> >
Time:2016 Oct 10 (Mon) 14:25
To:namd-l < <mailto:namd-l_at_ks.uiuc.edu> namd-l_at_ks.uiuc.edu>; 孙业平 < <mailto:sunyeping_at_aliyun.com> sunyeping_at_aliyun.com>
Subject:AW: namd-l: Reason: FATAL ERROR: Unknown command-line option ++local
Since the single-node version don’t need to be instructed to run local, the ++local flag isn’t available at all.
Von: owner-namd-l_at_ks.uiuc.edu <mailto:owner-namd-l_at_ks.uiuc.edu> [mailto:owner-namd-l_at_ks.uiuc.edu] Im Auftrag von ???
Gesendet: Sonntag, 9. Oktober 2016 21:10
An: namd-l < <mailto:namd-l_at_ks.uiuc.edu> namd-l_at_ks.uiuc.edu>
Betreff: namd-l: Reason: FATAL ERROR: Unknown command-line option ++local
Dear all,
I just compiled the NAMD 2.11 from source according to the instruction at http://www.ks.uiuc.edu/Research/namd/2.11/notes.html. The compiling process (single-node multicore version) seemed successsful, but when I run the test;
/charmrun ++local +p2 ./namd2
It gives;
Reason: FATAL ERROR: Unknown command-line option ++local
What is the reason for that?
best regards.
Yeping sun
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