|Posted on Tuesday, June 19, 2001 - 2:39 pm: |
I am going to be using Gaussian 98 running on a Beowulf cluster using Linda. Has anyone used WebMO with this kind of configuration / does it work. I assume there won't be any problems, but before we spend $x,000 on Gaussian, I want to be sure we can use it.
|Posted on Tuesday, June 19, 2001 - 3:12 pm: |
I personally have never LINDA to do parallel calculations, so I cannot say for sure whether it will work perfectly with WebMO. It depends on how the calculations are run; if the parallel version of g98 is run simply by executing the g98 binary (in other words, its seamless) and the input/output file formats are identical you should have no problems. However, if LINDA requires additional environmental variables to be set, etc., you may need to trivially modify the WebMO Perl code a bit.