Comments on: SIESTA, SMEAGOL, VASP … BlueGene/L http://sgowtham.net/blog/2007/05/11/siesta-smeagol-vasp-bluegenel/ Rambling about life's little things, in 7 ≡ 1 (mod 6) fashion Thu, 09 Feb 2012 09:18:41 +0000 hourly 1 http://wordpress.org/?v=3.3 By: KunTao http://sgowtham.net/blog/2007/05/11/siesta-smeagol-vasp-bluegenel/#comment-14287 KunTao Wed, 12 Nov 2008 15:01:09 +0000 http://sgowtham.net/blog/2007/05/11/siesta-smeagol-vasp-bluegenel/#comment-14287 Could you send me you arch.make and Makefile files for smeagol on Bluegene? I also need the Makefile for VASP on Bluegene. Many thanks. Could you send me you arch.make and Makefile files for smeagol on Bluegene? I also need the Makefile for VASP on Bluegene. Many thanks.

]]> By: Cyclopsfar http://sgowtham.net/blog/2007/05/11/siesta-smeagol-vasp-bluegenel/#comment-13420 Cyclopsfar Thu, 30 Oct 2008 15:17:25 +0000 http://sgowtham.net/blog/2007/05/11/siesta-smeagol-vasp-bluegenel/#comment-13420 Hey, Gowtham - I'd like to hop on line to get that person's contact info. Based on what I have been finding a well scaling version of VASP on the BG/P I have access to will be much easier than CPMD for the same problem. Thanks! Hey, Gowtham – I’d like to hop on line to get that person’s contact info. Based on what I have been finding a well scaling version of VASP on the BG/P I have access to will be much easier than CPMD for the same problem.

Thanks!

]]> By: psny http://sgowtham.net/blog/2007/05/11/siesta-smeagol-vasp-bluegenel/#comment-11395 psny Wed, 17 Sep 2008 23:12:59 +0000 http://sgowtham.net/blog/2007/05/11/siesta-smeagol-vasp-bluegenel/#comment-11395 Hi, I am looking for a VASP Makefile or binary for BG/L. Many Thanks Hi, I am looking for a VASP Makefile or binary for BG/L. Many Thanks

]]> By: stratos http://sgowtham.net/blog/2007/05/11/siesta-smeagol-vasp-bluegenel/#comment-9254 stratos Thu, 31 Jul 2008 18:21:45 +0000 http://sgowtham.net/blog/2007/05/11/siesta-smeagol-vasp-bluegenel/#comment-9254 Can I also have the Makefiles for building VASP on BG/L and BG/P?. Thanks. Can I also have the Makefiles for building VASP on BG/L and BG/P?.

Thanks.

]]> By: tyson http://sgowtham.net/blog/2007/05/11/siesta-smeagol-vasp-bluegenel/#comment-9233 tyson Fri, 18 Jul 2008 00:24:28 +0000 http://sgowtham.net/blog/2007/05/11/siesta-smeagol-vasp-bluegenel/#comment-9233 Can someone send me the compilation scripts and procedures for compiling VASP on BlueGene/L and BlueGene/P? Thanks Can someone send me the compilation scripts and procedures for compiling VASP on BlueGene/L and BlueGene/P?
Thanks

]]> By: Nicola http://sgowtham.net/blog/2007/05/11/siesta-smeagol-vasp-bluegenel/#comment-6810 Nicola Thu, 08 Nov 2007 03:19:24 +0000 http://sgowtham.net/blog/2007/05/11/siesta-smeagol-vasp-bluegenel/#comment-6810 Hi, Have been trying to get vasp compiled on out BG/L system for a few weeks now - after resolving a few issues with library conflicts between the lapck routines that come with vasp and the IBM essl routines, managed to get it compiled BUT: At runtime it fails with a bunch of NANs which appear to be coming out of the summation routines in mpi.f. I would welcome any insight you have into getting it running - a makefile would be great, I assume you have used the xlf compilers? But any information you have can only help. Cheers, Nicola Hi,
Have been trying to get vasp compiled on out BG/L system for a few weeks now – after resolving a few issues with library conflicts between the lapck routines that come with vasp and the IBM essl routines, managed to get it compiled BUT:
At runtime it fails with a bunch of NANs which appear to be coming out of the summation routines in mpi.f.
I would welcome any insight you have into getting it running – a makefile would be great, I assume you have used the xlf compilers? But any information you have can only help.

Cheers,
Nicola

]]> By: Gowtham http://sgowtham.net/blog/2007/05/11/siesta-smeagol-vasp-bluegenel/#comment-6042 Gowtham Tue, 15 May 2007 13:42:04 +0000 http://sgowtham.net/blog/2007/05/11/siesta-smeagol-vasp-bluegenel/#comment-6042 @Akira, I think (I think) luck is just a point in space-time continuum when the 3Ps, along with proper functioning of <a href="http://sgowtham.net/blog/2006/07/02/extra-dime-etc/" rel="nofollow">3D operators</a>, unite to give a desired result :) @Akira,
I think (I think) luck is just a point in space-time continuum when the 3Ps, along with proper functioning of 3D operators, unite to give a desired result :)

]]> By: Gowtham :: tirukanOrvana dRuShTiyalli » Blog Archive » Joy Of Walking … Across Countries http://sgowtham.net/blog/2007/05/11/siesta-smeagol-vasp-bluegenel/#comment-6041 Gowtham :: tirukanOrvana dRuShTiyalli » Blog Archive » Joy Of Walking … Across Countries Tue, 15 May 2007 12:56:41 +0000 http://sgowtham.net/blog/2007/05/11/siesta-smeagol-vasp-bluegenel/#comment-6041 [...] Photography « SIESTA, SMEAGOL, VASP … BlueGene/L | Current [...] [...] Photography « SIESTA, SMEAGOL, VASP … BlueGene/L | Current [...]

]]> By: Akira http://sgowtham.net/blog/2007/05/11/siesta-smeagol-vasp-bluegenel/#comment-6040 Akira Tue, 15 May 2007 12:17:09 +0000 http://sgowtham.net/blog/2007/05/11/siesta-smeagol-vasp-bluegenel/#comment-6040 Yes the 3 Ps are very important.....ever thought about luck? ;) All the best!...May you find your way into the big bad world soon! :) Yes the 3 Ps are very important…..ever thought about luck? ;)

All the best!…May you find your way into the big bad world soon! :)

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