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Seventh Sense Rambling About Life's Little Things, In 7 ≡ 1 (mod 6) Fashion

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BASH – vasp2xyz, A Script To Extract Coordinates From VASP

2009.12.22 @ 17:00:54

Users of VASP are often familiar with the struggles/hardships to easily visualize the coordinates from the output file [OUTCAR]. To that effect, I wrote the following script [with help at a crucial stage from Pat Krogel, CEC @ MTU]. It expects OUTCAR & POSCAR from a calculation to be in the same folder and when [...]

Posted in AWK, BASH, VASP

SIESTA, SMEAGOL, VASP … BlueGene/L

2007.05.11 @ 11:15:47

Well, some of you have been regular readers (and commentors) for my ramblings in this part of the e-world and such of those have known that I have been in Europe – Jülich, Germany – to be precise. However, while chatting with few of my friends, I noticed an incoherent idea as to why yours-truly [...]

Posted in BlueGene, SIESTA, SMEAGOL, VASP

SIESTA & Global Warming

2007.01.16 @ 20:18:39

I knew this would catch your attention – before you come out all the way to Houghton to kill me, give me a fair chance to explain: I will start out with describing the title. SIESTA is not what you generally know it as – but it’s an acronym for Spanish Initiative for Electronic Simulations [...]

Posted in Linux, Research, SIESTA, VASP

VASP, MPICH, Intel Compilers And NPACI Rocks

2005.12.22 @ 13:44:41

Much of the weekend was spent in some relaxation, shoveling snow (I have come to realize that this is a very good exercise – it can make one sweat even when it’s 10 F outside!) and trying to debug the errors associated with execution of parallel version of VASP 4.6.28. However, same errors persisted and [...]

Posted in MPI, MichiganTech, ROCKS, Research, VASP

What's This About?

Pretending to make the internet a better place, I write [not so] frequently about academia, technology, travel, photography, and so on.

Starting out with a hand written diary from mid 80s through late 90s, I have used MS Word, LaTeX, HTML as well as a home made RSS / XML parser in previous efforts to keep track of my ramblings but decided to settle with WordPress since v0.7x.

The instructions [&/or steps, scripts, methods, etc.] contained in these posts worked for me on my website/server; And while not everything is completely original, they are here mostly as a note2self. It may [should] very well work for your website/server as well. Please note that if you decide to use these instructions, you are doing so entirely at your very own discretion and that neither this site, nor its author is responsible for any/all damage - intellectual &/or otherwise.