From owner-chemistry@ccl.net Tue May 3 12:22:01 2016 From: "Dan Pope daniel.j.pope::wsu.edu" To: CCL Subject: CCL: Restarting gateway in Materials Studio Message-Id: <-52167-160503122037-13335-jnlS4A+kGAABFwyLtFuLwg!=!server.ccl.net> X-Original-From: "Dan Pope" Date: Tue, 3 May 2016 12:20:36 -0400 Sent to CCL by: "Dan Pope" [daniel.j.pope,wsu.edu] In Materials Studio 8.0 running on a Linux cluster we were trying to change the setting for cpuspercore. The following are the steps we took to do that. 1. Login as the user who owns the relevant Materials Studio gateway) installation (This must NOT be root). 2. Cd to etc/Gateway of the relevant installation. 3. Run ./gwstop 4. Run ./config/configure gateway cpucorestotal=24 6. Run ./gwstart Now we're getting the following error when trying to restart the gateway. Any idea why this is happening? Any help would be greatly appreciated. Thanks, Dan [root-.-XXXX Gateway]# ./gwstop Stopping gateway at XXXX /share/apps/MaterialsStudio8.0/etc/Gateway/root_default/httpd/bin/apachectl stop: httpd (pid 13377?) not running [root-.- XXXX Gateway]# ./config/configure gateway cpucorestotal=24 Gateway configuration... Looks like a reconfiguration - found an installation Process ID of 13377 But process 13377 is not running. So we will proceed. Port 18890 appears to be available right now... Enter "gwstart" to make gateway accessible at: http:// XXXX / [root-.- XXXX Gateway]# ./gwstart Gateway configuration... Looks like a reconfiguration - found an installation Process ID of 13377 But process 13377 is not running. So we will proceed. Port 18890 appears to be available right now... Starting gateway at: http:// XXXX / /share/apps/MaterialsStudio8.0/etc/Gateway/root_default/httpd/bin/apachectl start: httpd started Gateway start failed - process 24276 is not running. Testing gateway installation for script u/dsd_test.pl Running GET for url http://XXXX:18890/dsd/commands/u/dsd_test.pl Error: 500 Can't connect to XXXX (connect: Connection refused) From owner-chemistry@ccl.net Tue May 3 13:17:00 2016 From: "Nathalie Reuter nathalie.reuter^^mbi.uib.no" To: CCL Subject: CCL: ISQBP2016: registration is closing in less than two weeks! Message-Id: <-52168-160503102347-14401-rLDGWCIumOZGZMryfa70sQ_-_server.ccl.net> X-Original-From: Nathalie Reuter Content-Type: multipart/alternative; boundary="Apple-Mail=_888D94A7-05BD-42D9-B68E-B8A402BDD855" Date: Tue, 3 May 2016 16:23:35 +0200 Mime-Version: 1.0 (Mac OS X Mail 8.2 \(2104\)) Sent to CCL by: Nathalie Reuter [nathalie.reuter(0)mbi.uib.no] --Apple-Mail=_888D94A7-05BD-42D9-B68E-B8A402BDD855 Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset=utf-8 Dear colleagues,=20 *** registration is closing in less than two weeks for the 2016 meeting = of the International Society of Quantum Biology and Pharmacology = (ISQBP)*** *** Abstracts submission deadline for posters is May 15th, submission = form here *** *** Two travel awards (up to 500 USD each) sponsored by the ISQBP will = be awarded. Application via the registration form = to the meeting*** Please forward to potentially interested colleagues. This year again, the program will feature oral presentations by an = exciting line up of invited speakers including our two distinguished = award winners: ISQBP Award in Computational Biology 2016 Rebecca Wade (Heidelbeg Institute for Theoretical Studies and = Heidelberg University, Germany) ISQBP Loew Lectureship 2016 Marta Filizola (Icahn School of Medicine at Mount Sinai, New York, = U.S.A) Charles L. Brooks III (University of Michigan, U.S.A) Thomas E. Cheatham III (University of Michigan, U.S.A) Vlad Cojocaru (Max Planck Institute for Molecular Biomedicine, = Muenster, Germany) Annick Dejaegere (University of Strasbourg, France) Carmen Domene (King`s College London, U.K.) William L. Jorgensen (Yale University, U.S.A) Syma Khalid (University of Southampton, U.K) Carmay Lim (Academica Sinica & National Tsing Hua University, = Taipei,Taiwan) Alex MacKerell (University of Maryland, U.S.A) Lennart Nilsson (Karolinska Institutet, Stockholm, Sweden) Modesto Orozco (Institute for Research in Biomedicine, Barcelona, = Spain) Montgomery Pettitt (The University of Texas Medical Branch at = Galveston, U.S.A.) Carol Post (Purdue University, U.S.A.) and an equally exciting list of selected talks:=20 M. Bagherpoor Helabad (Free University of Berlin, Germany) I.A. Bethune (University of Edinburgh, U.K.) D. Cappel (Schr=C3=B6dinger) T. Gaillard (Ecole Polytechnique, Paris, France) N. Gillet (Karlsruhe Institute of Technology, Germany) H.B. Kolli (University of Oslo, Norway) F. Lankas (Academy of Sciences of the Czech Republic, Prague, Czech = Republic) K. Nam (Ume=C3=A5 University, Sweden) E. Sanchez-Garcia (Max-Planck-Institut f=C3=BCr Kohlenforschung, = M=C3=BClheim an der Ruhr, Germany) M. Schauperl (University of Innsbruck, Austria) J. Trylska (University of Warsaw, Poland) T. Tubiana (CNRS, Gif-Sur-Yvette, France) S. Vanni (CNRS, Sophia-Antipolis, France) C. Verma (Bioinformatics Institute, A*STAR, Singapore) S. Zivanovic (Institute for Research in Biomedicine, Barcelona, Spain) Registration and abstract submission forms can be found at = www.isqbp2016.org = . The ISQBP President's Meeting has always been a great networking = platform for discussing the newest results and developments from diverse = types of computational approaches to molecular structures.=20 REGISTRATION FEES: (include lunches Mon-Wed, the Welcome Ceremony and = Conference Dinner with boat trip included) Student regular price: 3500 nok (ca. 372 euros) Regular delegates after March 20th: 4600 nok (ca. 489 euros) DATE: 19-22 June 2016=20 PLACE: Grand Hotel Terminus, Bergen, Norway ( = www.grandterminus.no/en/ = ). The venue is conveniently located in = the city center of Bergen, with frequent transfer from the airport (30 = minutes drive by airport bus or taxi). ACCOMMODATION: rooms at the conference venue or at a nearby hotel can be = booked via the registration form, we are holding enough rooms for all = participants until the registration deadline.=20 ABSTRACTS: submission deadline May 15th TRAVEL AWARDS: Two ISQBP travel awards will be provided by the Society = to support students presenting their work at the meeting. The selection = will be based on the creativity, relevance and quality of the work as = well as the distance the student has to travel to attend the conference. POSTER AWARDS: Two poster awards, generously sponsored by Schr=C3=B6dinger= Inc., will be awarded following the poster presentations. MEETING WEBSITE: www.isqbp2016.org ISQBP: want to know more about the International Society of Quantum = Biology and Pharmacology? Visit our webpage at = http://isqbp.umaryland.edu = With best regards, The Scientific Committee Nathalie Reuter (University of Bergen, Norway) Bj=C3=B8rn Olav Brandsdal (Arctic University - Troms=C3=B8, Norway) Michele Cascella (University of Oslo, Norway)= --Apple-Mail=_888D94A7-05BD-42D9-B68E-B8A402BDD855 Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset=utf-8 Dear colleagues, 

*** = registration is closing in less than two weeks for the 2016 meeting of = the International Society of Quantum Biology and Pharmacology = (ISQBP)***

*** Abstracts submission deadline for = posters is May 15th, submission = form here ***
*** Two travel awards = (up to 500 USD each) sponsored by the ISQBP will be awarded. Application = via the registration = form  to the meeting***

Please forward to = potentially interested colleagues.

This year again, the = program will feature oral presentations by an exciting line up of invited speakers including our two distinguished award = winners:

ISQBP Award = in Computational Biology 2016
Rebecca Wade  (Heidelbeg = Institute for Theoretical Studies and Heidelberg University, = Germany)
ISQBP Loew Lectureship 2016
Marta = Filizola (Icahn School of Medicine at Mount Sinai, New York, = U.S.A)

Charles L. = Brooks III  (University of Michigan, = U.S.A)
Thomas E. = Cheatham III  (University of Michigan, = U.S.A)
Vlad = Cojocaru  (Max Planck Institute for Molecular Biomedicine, = Muenster, Germany)
Annick = Dejaegere (University of Strasbourg, France)
Carmen Domene (King`s College London, = U.K.)
William L. = Jorgensen (Yale University, U.S.A)
Syma Khalid (University of Southampton, = U.K)
Carmay = Lim (Academica Sinica & National Tsing Hua University, = Taipei,Taiwan)
Alex = MacKerell  (University of Maryland, = U.S.A)
Lennart = Nilsson  (Karolinska Institutet, Stockholm, = Sweden)
Modesto = Orozco  (Institute for Research in Biomedicine, Barcelona, = Spain)
Montgomery = Pettitt  (The University of Texas Medical Branch at = Galveston, U.S.A.)
Carol = Post  (Purdue University, U.S.A.)

and an equally exciting = list of selected talks: 
M. Bagherpoor Helabad (Free University of = Berlin, Germany)
I.A. = Bethune  (University of Edinburgh, U.K.)
D. Cappel  (Schr=C3=B6dinger)
T. Gaillard  (Ecole Polytechnique, = Paris, France)
N. Gillet =  (Karlsruhe Institute of Technology, Germany)
H.B. Kolli  (University of Oslo, = Norway)
F. = Lankas  (Academy of Sciences of the Czech Republic, = Prague, Czech Republic)
K. = Nam  (Ume=C3=A5 University, Sweden)
E. = Sanchez-Garcia  (Max-Planck-Institut f=C3=BCr = Kohlenforschung, M=C3=BClheim an der Ruhr, = Germany)
M. = Schauperl  (University of Innsbruck, = Austria)
J. Trylska  (University = of Warsaw, Poland)
T. = Tubiana  (CNRS, Gif-Sur-Yvette, France)
S. Vanni  (CNRS, Sophia-Antipolis, = France)
C. = Verma  (Bioinformatics Institute, A*STAR, = Singapore)
S. = Zivanovic  (Institute for Research = in Biomedicine, Barcelona, Spain)


Registration and = abstract submission forms can be found at www.isqbp2016.org.

The ISQBP = President's Meeting has always been a great networking platform for = discussing the newest results and developments from diverse types of = computational approaches to molecular structures. 

REGISTRATION FEES: = (include lunches Mon-Wed, the Welcome Ceremony and Conference Dinner = with boat trip included)
Student regular price: = 3500 nok (ca. 372 euros)
Regular delegates after = March 20th: 4600 nok (ca. 489 euros)

DATE: 19-22 June 2016 

PLACE: Grand Hotel Terminus, Bergen, Norway = (www.grandterminus.no/en/). = The venue is conveniently located in the city center of Bergen, with = frequent transfer from the airport (30 minutes drive by airport bus or = taxi).

ACCOMMODATION: rooms at the conference venue or at a nearby = hotel can be booked via the registration form, we are holding enough = rooms for all participants until the registration deadline. 

ABSTRACTS: submission deadline May 15th

TRAVEL AWARDS: Two ISQBP travel awards will be = provided by the Society to support students presenting their work at the = meeting. The selection will be based on the creativity, relevance and = quality of the work as well as the distance the student has to travel to = attend the conference.

POSTER AWARDS: Two poster awards, generously sponsored by = Schr=C3=B6dinger Inc., will be awarded following the poster = presentations.

MEETING = WEBSITE: www.isqbp2016.org

ISQBP: = want to know more about the International Society of Quantum Biology and = Pharmacology? Visit our webpage at http://isqbp.umaryland.edu



With best = regards,

The = Scientific Committee

Nathalie Reuter (University of Bergen, Norway)
Bj=C3=B8rn Olav Brandsdal (Arctic University - Troms=C3=B8, = Norway)
Michele Cascella (University of Oslo, = Norway)
= --Apple-Mail=_888D94A7-05BD-42D9-B68E-B8A402BDD855--