Hi, I've used Crunch Yard to perform some calculations using NWChe= m:

---
Henrique C. S. Junior
Qu=C3=ADmico Indust= rial - UFRRJ

Mestrando em Qu=C3=ADmica Inorg=C3=A2nica - UFRRJ
Centro de Processame= nto de Dados - PMP

On Saturday, May 9, 2015 1:44 PM= , Computational Chemist computationalchemist * ymail.com <owner-chemistr= y+*+ccl.net> wrote:

Dear All,

I need more computer resources so that I can do large = scale molecular dynamics simulations. Are there any high performance comput= ing centers that provide international access for users through application= , proposals, fees...etc

Thank you so much.

Dina

------=_Part_4087918_664166722.1431195893806-- From owner-chemistry@ccl.net Sat May 9 17:46:01 2015 From: "Computational Chemist computationalchemist++ymail.com" To: CCL Subject: CCL: Remote access to high performance computing Message-Id: <-51363-150509174315-22171-y0Y1f4tZsaR/CSgE6Z+ZoQ:-:server.ccl.net> X-Original-From: Computational Chemist Content-Type: multipart/alternative; boundary="----=_Part_3376309_31202317.1431207602340" Date: Sat, 9 May 2015 21:40:02 +0000 (UTC) MIME-Version: 1.0 Sent to CCL by: Computational Chemist [computationalchemist,,ymail.com] ------=_Part_3376309_31202317.1431207602340 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: quoted-printable Thank you Sergio, Victor, Chris and Wojciech for replying. I am doing this research at Alexandriah University, Egypt. I want to do com= parable molecular dynamics simulations on three HCV protease genotypes. For= each simulation, I need 4 processors with =C2=A02GB RAM for each processor= . I expect the calculations to take 6-8 months. I can use AMBER or Gomacs o= r NAMD. =C2=A0Thank you, Dina=20 On Saturday, May 9, 2015 10:35 PM, Wojciech Kolodziejczyk dziecial**ic= nanotox.org wrote: =20 The answer is YES they are. 2015-05-09 13:45 GMT-05:00 Jim Kress jimkress35=3Dgmail.com : I recommend (and use) CrunchYard: https://www.crunchyard.com/default.aspx=C2=A0Jim=C2=A0From: owner-chemistry= +jimkress35=3D=3Dgmail.com(!)ccl.net [mailto:owner-chemistry+jimkress35=3D= =3Dgmail.com(!)ccl.net] On Behalf Of Computational Chemist computationalche= mist * ymail.com Sent: Saturday, May 09, 2015 11:03 AM To: Kress, Jim=20 Subject: CCL: Remote access to high performance computing=C2=A0Dear All,=C2= =A0I need more computer resources so that I can do large scale molecular dy= namics simulations. Are there any high performance computing centers that p= rovide international access for users through application, proposals, fees.= ..etc=C2=A0Thank you so much.=C2=A0Dina ------=_Part_3376309_31202317.1431207602340 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable

Thank you Sergio, Victor, Chris and = Wojciech for replying.

I am doing= this research at Alexandriah University, Egypt. I want to do comparable mo= lecular dynamics simulations on three HCV protease genotypes. For each simu= lation, I need 4 processors with 2GB RAM for each processor. I expect= the calculations to take 6-8 months. I can use AMBER or Gomacs or NAMD.

Thank you,

= Dina

= On Saturday, May 9, 2015 10:35 PM, Wojcie= ch Kolodziejczyk dziecial**icnanotox.org <owner-chemistry()ccl.net> wr= ote:

The answer is YES they are.

2015-05-09 13:45 GMT-05:00 Jim Kress jimkress35=3Dgmail.com <owner-chemistry###cc= l.net>:

I recommend (and use) CrunchYard:

https://www.crunchyard.com/default.aspx

Jim

=
= > From: owner-chemistry+jimkress= 35=3D=3Dgm= ail.com(!)ccl.net [mailto:owner-chemistry+jimkress35=3D=3Dgmail.com(!)ccl.net] On Behalf Of Computati= onal Chemist computationalchemist * ymail.com
Sent: Saturday, May 09, 2= 015 11:03 AM
To: Kress, Jim
Subject: CCL: Remote acces= s to high performance computing

Dear All,<= /div>

=
I need more computer resources so that I can do la= rge scale molecular dynamics simulations. Are there any high performance co= mputing centers that provide international access for users through applica= tion, proposals, fees...etc

Thank you so much.

Dina=

<= /div>

------=_Part_3376309_31202317.1431207602340-- From owner-chemistry@ccl.net Sat May 9 21:47:01 2015 From: "Brian Skinn bskinn#,#alum.mit.edu" To: CCL Subject: CCL: Remote access to high performance computing Message-Id: <-51364-150509202212-32306-v6lGafrV6RatJ+nivftnTA%%server.ccl.net> X-Original-From: Brian Skinn Content-Type: multipart/alternative; boundary=047d7bacb40e4cd0010515af4001 Date: Sat, 9 May 2015 20:21:45 -0400 MIME-Version: 1.0 Sent to CCL by: Brian Skinn [bskinn-*-alum.mit.edu] --047d7bacb40e4cd0010515af4001 Content-Type: text/plain; charset=UTF-8 All, I utilized the free trial offer for Google Cloud Compute to evaluate its cost structure for computational chemistry applications (ORCA quantum calculations, to be exact). It ended up being far more economical to just buy a refurbished server to run at home, rather than rent the CPU time from somewhere else. Of course, this is in large part because I have sufficient familiarity with Linux to configure, administer and maintain such a server. If that expertise is not available to you, renting the CPU time may well be the better deal. If CrunchYard does not support the computational software you require, you should be able to install just about anything onto a G Cloud Instance. Google Compute tracks the free trial by giving a $300 account credit and then just billing normally. For my own records, I tracked the decrease in funds over my testing period. I've laid that data into a Google Spreadsheet; it can be viewed here . I've enabled comments for all viewers, so if anyone has questions feel free to either email me at bskinn-AT-alum-DOT-mit-DOT-edu, or to tag comments into the sheet. Amazon Web Services is another big player for cloud computing. I surveyed their pricing briefly; I think Google's services would end up being less expensive, but in large part I went with Google's trial offer because it was much easier to get it started & I think the terms were less restrictive. Good luck, Brian On Sat, May 9, 2015 at 5:40 PM, Computational Chemist computationalchemist++ ymail.com wrote: > > Thank you Sergio, Victor, Chris and Wojciech for replying. > > I am doing this research at Alexandriah University, Egypt. I want to do > comparable molecular dynamics simulations on three HCV protease genotypes. > For each simulation, I need 4 processors with 2GB RAM for each processor. > I expect the calculations to take 6-8 months. I can use AMBER or Gomacs or > NAMD. > > Thank you, > > Dina > > > > On Saturday, May 9, 2015 10:35 PM, Wojciech Kolodziejczyk dziecial** > icnanotox.org wrote: > > > The answer is YES they are. > > 2015-05-09 13:45 GMT-05:00 Jim Kress jimkress35=gmail.com < > owner-chemistry###ccl.net>: > > I recommend (and use) CrunchYard: > > https://www.crunchyard.com/default.aspx > > Jim > > *> From:* owner-chemistry+jimkress35==gmail.com(!)ccl.net [mailto: > owner-chemistry+jimkress35==gmail.com(!)ccl.net] *On Behalf Of *Computational > Chemist computationalchemist * ymail.com > *Sent:* Saturday, May 09, 2015 11:03 AM > *To:* Kress, Jim > *Subject:* CCL: Remote access to high performance computing > > Dear All, > > I need more computer resources so that I can do large scale molecular > dynamics simulations. Are there any high performance computing centers that > provide international access for users through application, proposals, > fees...etc > > Thank you so much. > > Dina > > > > > --047d7bacb40e4cd0010515af4001 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable

All,

I utilized the free trial offer fo= r Google Cloud Compute to evaluate its cost structure for computational che= mistry applications (ORCA quantum calculations, to be exact). =C2=A0 It end= ed up being far more economical to just buy a refurbished server to run at = home, rather than rent the CPU time from somewhere else.=C2=A0 Of course, t= his is in large part because I have sufficient familiarity with Linux to co= nfigure, administer and maintain such a server.=C2=A0 If that expertise is = not available to you, renting the CPU time may well be the better deal.=C2= =A0 If CrunchYard does not support the computational software you require, = you should be able to install just about anything onto a G Cloud Instance.<= /div>

Google Compute tracks the free trial by giving a $= 300 account credit and then just billing normally.=C2=A0 For my own records= , I tracked the decrease in funds over my testing period.=C2=A0 I've la= id that data into a Google Spreadsheet; it can be viewed here.=C2=A0 I've enabled comments for all vie= wers, so if anyone has questions feel free to either email me at bskinn-AT-= alum-DOT-mit-DOT-edu, or to tag comments into the sheet.

Amazon Web Services is another big player for cloud computing.=C2=A0= I surveyed their pricing briefly; I think Google's services would end = up being less expensive, but in large part I went with Google's trial o= ffer because it was much easier to get it started & I think the terms w= ere less restrictive.

Good luck,

Brian

On Sat, May 9, 2015 at 5:40 PM, Computational Chemis= t computationalchemist++ymail.com <= owner-chemistry/a\ccl.net> wrote:

Thank you Sergio, Victor, Chris and Wojciech for r= eplying.

I am doing this research at A= lexandriah University, Egypt. I want to do comparable molecular dynamics si= mulations on three HCV protease genotypes. For each simulation, I need 4 pr= ocessors with =C2=A02GB RAM for each processor. I expect the calculations t= o take 6-8 months. I can use AMBER or Gomacs or NAMD.

<= div>=C2=A0Thank you,

Dina

On Saturday, May 9, 2015 10:35 PM, Wojc= iech Kolodziejczyk dziecial**icnanotox.org <owner-chemistry**ccl.net> wrote:

The answer is YES they are.

2015-0= 5-09 13:45 GMT-05:00 Jim Kress jimkress35=3Dgmail.com <owner-chemistry###ccl.net>:
I recommend (an= d use) CrunchYard:

https://www.crunchyard.com/default.as= px
=C2=A0
Jim
=C2=A0
<= div>> From: owner-chemistry+jimkress35=3D=3Dgmail.com(!)ccl.net [mailto:o= wner-chemistry+jimkress35=3D=3Dgmail.com(!)ccl.net] On Behalf Of Computational= Chemist computationalchemist * ymail.com
Sent: Saturday, May 09, 2015 = 11:03 AM
To: Kress, Jim
Subject: CCL: Remote access to= high performance computing
<= /u>=C2=A0
Dear All,
=C2=A0=
I need more computer resources so that I can do large scale molecu= lar dynamics simulations. Are there any high performance computing centers = that provide international access for users through application, proposals,= fees...etc
=C2=A0
Thank= you so much.
=C2=A0
=
Dina

<= /div>