From owner-chemistry@ccl.net Tue Jan 22 23:38:00 2013 From: "William Abarca abarca.will===gmail.com" To: CCL Subject: CCL: parallel ORCA Message-Id: <-48113-130122223602-5523-3nLX7QiRR61WocKSm1n0gw _ server.ccl.net> X-Original-From: William Abarca Content-Type: multipart/alternative; boundary=f46d043892ef5c28a104d3ec648e Date: Tue, 22 Jan 2013 21:35:36 -0600 MIME-Version: 1.0 Sent to CCL by: William Abarca [abarca.will]*[gmail.com] --f46d043892ef5c28a104d3ec648e Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable I think that's not possible. ORCA page and manual specify to use OpenMPI, since you have pre-compiled binaries linked to openmpi using another implementation could not work. Also, a very important thing is that you have to use the same version used with ORCA, the last version uses OpenMPI 1.4.4, I tried with OpenMPI 1.6.x and didn't work. On Tue, Jan 22, 2013 at 6:41 AM, Patrick Pang skpang(-)ctimail.com < owner-chemistry#,#ccl.net> wrote: > > Sent to CCL by: "Patrick Pang" [skpang%x%ctimail.com] > Dear all, > > Do you know how to run a job in parallel using ORCA and DeinoMPIWin? Are > there any tutorial materials for teaching us this issue step by setp? > > Regards, > > Patrick > > > > -=3D This is automatically added to each message by the mailing script = =3D-> > > --=20 *William E. Abarca-Menj=EDvar Physics student Faculty of Natural Sciences and Mathematics University of El Salvador** *** --f46d043892ef5c28a104d3ec648e Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable
= I think that's not possible. ORCA page and manual specify to use OpenMP= I, since you have pre-compiled binaries linked to openmpi using another imp= lementation could not work. Also, a very important thing is that you have t= o use the same version used with ORCA, the last version uses OpenMPI 1.4.4,= I tried with OpenMPI 1.6.x and didn't work.


<= /font>


On Tue, Jan 22, 2013 at 6:41 AM, Patrick Pang skpang(-)ctimail.com <owner-chemistry#,#ccl.net> w= rote:

Sent to CCL by: "Patrick =A0Pang" [skpang%x%ctimail.com]
Dear all,

Do you know how to run a job in parallel using ORCA and DeinoMPIWin? =A0Are= there any tutorial materials for teaching us this issue step by setp?

Regards,

Patrick



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--
William E. Abarca-Menj=EDvar
Physics student=
Faculty of Natural Sciences and M= athematics
University of El Salvador
<= /i>
--f46d043892ef5c28a104d3ec648e--