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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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
NWCHEM 6-6 on Mageia 5
1 1535 Sep 21st 3:07 pm
Jhammond
nwchem-6.6 compilation error from source
6 1701 Sep 21st 3:22 am
Neo
why nwchem_6.0 crashes in parallel run
2 1175 Sep 14th 9:05 pm
Neo
NWChem seg fault crashes on Centos 7.2
10 3108 Sep 1st 5:46 pm
Jdmoore2004
NWChem in Spack package manager
0 1408 Aug 29th 7:25 am
Den59
NWChem 6.3 library containing MPI_Init no
4 1439 Aug 25th 9:28 am
Edoapra
NWChem 6.6: util_getppn.patch is already partly applied
1 1487 Aug 23rd 9:02 am
Edoapra
NWChem 6.6 for BlueGene/Q
15 3794 Aug 10th 10:49 pm
Buchwj
NWChem 6.6 compilation fails on mac
5 1596 Aug 8th 4:45 pm
Edoapra
Compiling NWChem on Cygwin1 2
21 23230 Aug 4th 9:15 am
Noureddine
some patches do not apply cleanly against Nwchem-6.6.revision27746-src.2015-10-20
1 1698 Jul 22nd 8:57 am
Edoapra
NWChem 6.6 compiles but doesn't work on the new Fedora 24
2 3333 Jul 19th 7:54 am
LonelySpooky
NWChem 6.6 Mac LinAlg error
9 1705 Jul 13th 1:09 pm
Checksum

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