| 10:59:57 AM PST - Tue, Jan 17th 2017 |
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Quote:Mihalis Jan 16th 11:53 pmI have been trying to compile NWchem for windows 64bit through Cygwin with Intel MPI with no success.
However, I have successfully compiled it for 32bit again with Intel's MPI.
I have read in a previous post that NWChem does not have a working port of NWChem on windows 64bit.
Is there anyone that has succeeded in compiling NWChem for Windows 64bit?
Unfortunately, a port of NWChem on 64-bit Windows does not exist at this moment and it is not likely to happen in the foreseeable future. The root cause of the problem is in the Global Arrays/ARMCI libraries (tools directory in the NWChem source code) because of the LLP64 data model used by Windows (https://en.wikipedia.org/wiki/64-bit_computing).
As an alternative, my suggestion would be to use -- unfortunately only on Windows 10 -- Windows Subsystem for Linux (WSL). Have you ever looked into this?
I have tried myself and it can give you a pretty effective 64-bit NWChem environment, either by compiling the NWChem code from scratch or by using the Ubuntu precompiled NWChem package. Here is a link to the install guide
https://msdn.microsoft.com/en-us/commandline/wsl/install_guide
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