Compiling NWChem

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Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups
0 1715 Jun 18th 5:01 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
0 13620 Dec 14th 2:51 pm
Edoapra

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Building NWChem 6.6 without MPI
0 1023 May 11th 1:05 pm
Swsides
Undefined references for nwchem6.6 on ubuntu 16.04
2 1514 Apr 25th 10:07 pm
Jhelfferich
NWChem 6.6 gfortran+MKL
0 1112 Apr 15th 3:33 am
Dishu1
Compilation with OpenMPI
9 2009 Apr 7th 11:10 am
Edoapra
nwchem not running in IBM ppc64 le
0 921 Apr 3rd 6:41 am
Tamalgoswami
Improper compilation causes memory error during running nwchem
13 3833 Mar 1st 3:02 am
DanChQ
Problem in running NWChem.
3 1705 Feb 27th 11:03 am
Bikash Patra
MPI errors Centos 7.3
4 2392 Feb 8th 12:25 pm
Deej
NWChem is successfully built on mac OS Sierra10.12.3 with GCC6.3.0 and mpich3.2_2.
0 1260 Feb 2nd 4:06 am
Xiongyan21
How to recompile nwchem 6.6.
0 1141 Jan 25th 1:04 am
Bikash Patra
compiling on centos~~ can't find Python.h
10 2986 Jan 18th 12:36 pm
Zww9
Failure to compile on MinGW with MSYS
3 2458 Jan 17th 10:59 am
Edoapra
Error in ccsd_t after compiling
3 1496 Jan 8th 3:13 pm
Jhammond
"Catastrophic error" on ccsd_t_kernels_omp.F when compiling nw6.6 by ifort 15.0.2 under CentOS 7
3 1922 Jan 4th 7:23 pm
Edoapra
Error compiling mov2asc in opensuse
1 1110 Dec 27th 6:16 pm
Edoapra
Compiling on RHEL 7 with MKL1 2
21 8055 Dec 27th 6:11 pm
Edoapra
configure: error: test for ARMCI_NETWORK=OPENIB failed
0 1215 Dec 13th 5:44 am
Rangsiman
Intel E5-2640v3 Haswell: No such instruction
4 4199 Dec 12th 1:04 am
Danielk
error in compilation with gfortran 5.4.0, -march=native
4 1427 Dec 10th 8:08 pm
Ylniu
MRCC_METHODS vs MRCC_THEORY
3 1358 Dec 7th 3:55 pm
Edoapra
Nwchem 6.6 - CentOS 7.2
1 1414 Nov 26th 1:39 pm
Jwkeller
-lcc_dynamic missing on latest Mac
4 1460 Sep 22nd 12:10 pm
Jhammond
using FOPTIMIZE
0 1256 Sep 21st 8:30 pm
Jhammond
CCSDTLR Not Compiled Error in Example ccsdt_polar_small.nw1 2
28 14179 Sep 21st 3:36 pm
Jhammond
NWChem 6.6 Compiling on Cray: FTN Recursive Include Error
3 1528 Sep 21st 3:13 pm
Jhammond

Forum >> NWChem's corner >> Compiling NWChem
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