windows 10 64
Gets Around
7:34:43 AM PDT - Mon, Oct 16th 2017
Hi,

After the last automatic upgrade Windows 10 the NWChem stopped working (WSL). And it can not be recompiled. Can anyone help?

Is it possible to compile NWChem statically and work with binary files to avoid such problems?

An ideal alternative would be a native compilation under Windows. However, it looks impossible for Windows 64. Maybe someone did such a compilation?

Forum Vet
9:55:40 AM PDT - Mon, Oct 16th 2017
P99
Could you provide details about the WSL failure? Were you using the Ubuntu precompiled package or did you compile NWChem yourself? Could you provide details about the error message.

The 64-bit Windows port is not a straightforward task

Gets Around
11:16:48 AM PDT - Mon, Oct 16th 2017
The executable file began to fall at the start. When I removed it, and said, make, then I see the error:

     &                    ddot(nq,Acof2(1,1,idir),1,
                              1
Error: Function 'ddot' at (1) has no IMPLICIT type


Quote:Edoapra Oct 16th 9:55 am
P99
Could you provide details about the WSL failure? Were you using the Ubuntu precompiled package or did you compile NWChem yourself? Could you provide details about the error message.

The 64-bit Windows port is not a straightforward task

Gets Around
11:33:26 AM PDT - Mon, Oct 16th 2017
Well. I updated Ubuntu from 14 to 16 and said - make. It went around all the folders and said - there is nothing to compile, and linked. Works now.

Apparently the problem was in obsolete dynamic libraries.
Is it possible to prevent such behavior? Unfortunately, I'm not a Linux programmer. Can it be possible to link libraries statically or to collect all the necessary dynamic libraries in a package?

Clicked A Few Times
9:33:43 AM PST - Mon, Feb 26th 2018
Install Issues on Windows 10
I am using the MINGW suite, MSYS as per instructions. All installed OK, including Python.
Extracted all files in build 6.8
I did the "exports" and then on to:
 % cd $NWCHEM_TOP/src

 % make nwchem_config

 % make FC=gfortran DEPEND_CC=gcc
The error occurs because there is no file named nwchem_config.
Its not in src or anywhere in the install set.

Any advice appreciated. This is my first time to install NWCHEM and not too familiar with unix.


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