2:40:24 PM PST - Fri, Dec 5th 2014 |
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Nwchem is propably a great code, but the main drawback is how to settup it!
I have tried on fedora 19 x86_64 and on windows 7, but this is just impossible to settup
On fedora, the make file cannot compile for some reasons, although I strickly followed all the instructions. On windows, I tried cygwin, and it is also just impossible. And with MinGW/MSYS , this is just IMPOSSIBLE as well for the simple reason that the installer is UNABLE to download any file at ALL! This is simply ridiculous.
It is really great pity that any scientist would spend about a month to settup a quantum calculation freeware, and about one week to learn how to use it!
You have really to work hard to make nwchem easy to settup. I dont have either red hat , or suse: only fedora. But I just cannot compile although all packages and libraries (mpich, python, gcc, etc) are on my workstation. This is as frustrating as annoying! I had the same problem with gamess: just impossible to settup on windows, and possible on fedora after one month of trying hard!
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