Compiling NWChem

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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 263 Dec 14th 1:51 pm
Edoapra

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Error with pre-processing nwchem.F
Started By : Cchang
1 137 Sep 5th 9:11 am
Cchang
A request for help1 2
Started By : Jason York
18 1607 Aug 20th 4:53 am
Dathan87
Post Deleted
Started By : Chiensh
0 135 Aug 17th 6:31 pm
Chiensh
Compilation Problems with Centos 7.3
Started By : Jgamez
2 393 Aug 13th 4:04 am
Marcindulak
win32
Started By : P99
15 332 Aug 4th 11:11 am
P99
Using Tau Profiler with Intel fortran
Started By : Mmadrid
2 240 Jul 31st 1:09 pm
Mmadrid
Compilation on Mac OS X
Started By : Driesvr
8 850 Jul 26th 3:30 am
Mgreuter
undefined reference to `blacs_gridinfo
Started By : Adrianam
0 272 Jul 14th 9:31 am
Adrianam
Compile NWChem with Intel 2017 (MPI + MKL)
Started By : Cyberwolf
4 654 Jun 23rd 10:45 am
Cyberwolf
Problem with downloading patch HFmke.patch.gz
Started By : Swsides
1 312 May 22nd 1:25 pm
Edoapra
Building NWChem 6.6 without MPI
Started By : Swsides
0 269 May 11th 12:05 pm
Swsides
Undefined references for nwchem6.6 on ubuntu 16.04
Started By : Jhelfferich
2 432 Apr 25th 9:07 pm
Jhelfferich
NWChem 6.6 gfortran+MKL
Started By : Dishu1
0 301 Apr 15th 2:33 am
Dishu1
Compilation with OpenMPI
Started By : Chiensh
9 488 Apr 7th 10:10 am
Edoapra
nwchem not running in IBM ppc64 le
Started By : Tamalgoswami
0 263 Apr 3rd 5:41 am
Tamalgoswami
Improper compilation causes memory error during running nwchem
Started By : DanChQ
13 893 Mar 1st 2:02 am
DanChQ
Problem in running NWChem.
Started By : Bikash Patra
3 458 Feb 27th 10:03 am
Bikash Patra
MPI errors Centos 7.3
Started By : Deej
4 653 Feb 8th 11:25 am
Deej
NWChem is successfully built on mac OS Sierra10.12.3 with GCC6.3.0 and mpich3.2_2.
Started By : Xiongyan21
0 551 Feb 2nd 3:06 am
Xiongyan21
How to recompile nwchem 6.6.
Started By : Bikash Patra
0 446 Jan 25th 12:04 am
Bikash Patra
compiling on centos~~ can't find Python.h
Started By : Zww9
10 1032 Jan 18th 11:36 am
Zww9
Failure to compile on MinGW with MSYS
Started By : Covalent
3 1512 Jan 17th 9:59 am
Edoapra
Error in ccsd_t after compiling
Started By : MarcelB
3 470 Jan 8th 2:13 pm
Jhammond
"Catastrophic error" on ccsd_t_kernels_omp.F when compiling nw6.6 by ifort 15.0.2 under CentOS 7
Started By : Vistawanted
3 546 Jan 4th 6:23 pm
Edoapra
Error compiling mov2asc in opensuse
Started By : Jecerca
1 410 Dec 27th 5:16 pm
Edoapra
Compiling on RHEL 7 with MKL1 2
Started By : Afeleut
21 2581 Dec 27th 5:11 pm
Edoapra

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