From owner-chemistry@ccl.net Thu May 4 09:25:01 2017 From: "Malczanek, Anthony Nicholas email-x-anthonymalczanek.com" To: CCL Subject: CCL: GPU's and QM Message-Id: <-52780-170504084313-6908-6zhaOP6jbg/PL3KtBdsqUg]![server.ccl.net> X-Original-From: "Malczanek, Anthony Nicholas" Content-Type: multipart/alternative; boundary=f403045c454c55888b054eb21dc7 Date: Thu, 4 May 2017 08:43:05 -0400 MIME-Version: 1.0 Sent to CCL by: "Malczanek, Anthony Nicholas" [email/./anthonymalczanek.com] --f403045c454c55888b054eb21dc7 Content-Type: text/plain; charset=UTF-8 Any program that advertises CUDA support should run well on that card, and those that support OpenCL ought to run also. CUDA is the proprietary NVIDIA technology for GPU computation. Browse the list in the previous reply for good candidates. Your card is relatively new, and should run any of the software with no problem. Newer software may make better use of your device as far as optimizing calculations for the number of compute units and graphics RAM and warp/block/grid configurations. On May 3, 2017 18:29, "Antonio G. De Crisci antonio.decrisci|canada.ca" < owner-chemistry]*[ccl.net> wrote: Sent to CCL by: "Antonio G. De Crisci" [antonio.decrisci ~ canada.ca] hello, My workstation computer has an NVIDIA Quadro m4000m GPU. Does anybody know which QM (DFT) program supports this so I could take advantage of it? Thanks, Anthonyhttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt--f403045c454c55888b054eb21dc7 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
Any program that advertises CUDA support should run well = on that card, and those that support OpenCL ought to run also. CUDA is the = proprietary NVIDIA technology for GPU computation. Browse the list in the p= revious reply for good candidates.=C2=A0

Your card is relatively new, and should run any of the software = with no problem. Newer software may make better use of your device as far a= s optimizing calculations for the number of compute units and graphics RAM = and warp/block/grid configurations.=C2=A0

On May 3, 2017 18:29, "Antonio G. = De Crisci antonio.decrisci|canada.ca"= <owner-chemistry]*[ccl.net= > wrote:

Sent to CCL by: "Antonio G. De Crisci" [antonio.decrisci ~ canada.ca]<= br> hello,

My workstation computer has an NVIDIA Quadro m4000m GPU. Does anybody know = which QM (DFT) program supports this so I could take advantage of it?


Thanks,
Anthony



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