Disclaimer The instructions/steps/scripts/methods given below worked for me running CentOS and various other distributions. It may very well work for you on other linux distributions, Red Hat-like or otherwise. Please note that if you decide to use these instructions on your machine, you are doing so entirely at your very own discretion and that neither [...]
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VASP, MPICH, Intel Compilers And NPACI Rocks
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 [...]
Old Monkey In
One of the important things that we (in our research group) had in our plan was to get parallel version of CRYSTAL 2003 working on our beowulf cluster. Working with Dr. Orlando (one of the authors of this program), I managed to get both serial and parallel versions, and good news is that they both [...]


