Compiling NWChem

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Announcement's Replies Views Last Action
Bug in Raman code
Started By : Sean
0 1903 Feb 2nd 6:45 pm
Sean
NWChem 6.6: bug in geometry optimization
Started By : Edoapra
0 1967 Jan 28th 2:50 pm
Edoapra
Sticky: NWChem 6.6 available for download
Started By : Edoapra
0 5472 Oct 20th 4:12 pm
Edoapra

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Thread Title Replies Views Last Action
compiling on centos~~ can't find Python.h
Started By : Zww9
10 763 Jan 18th 12:36 pm
Zww9
Failure to compile on MinGW with MSYS
Started By : Covalent
3 1354 Jan 17th 10:59 am
Edoapra
Error in ccsd_t after compiling
Started By : MarcelB
3 340 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
Started By : Vistawanted
3 403 Jan 4th 7:23 pm
Edoapra
Error compiling mov2asc in opensuse
Started By : Jecerca
1 317 Dec 27th 6:16 pm
Edoapra
Compiling on RHEL 7 with MKL1 2
Started By : Afeleut
21 1837 Dec 27th 6:11 pm
Edoapra
configure: error: test for ARMCI_NETWORK=OPENIB failed
Started By : Rangsiman
0 325 Dec 13th 5:44 am
Rangsiman
Intel E5-2640v3 Haswell: No such instruction
Started By : Danielk
4 713 Dec 12th 1:04 am
Danielk
error in compilation with gfortran 5.4.0, -march=native
Started By : Ylniu
4 359 Dec 10th 8:08 pm
Ylniu
MRCC_METHODS vs MRCC_THEORY
Started By : Vladimir
3 341 Dec 7th 3:55 pm
Edoapra
Nwchem 6.6 - CentOS 7.2
Started By : Jwkeller
1 420 Nov 26th 1:39 pm
Jwkeller
-lcc_dynamic missing on latest Mac
Started By : Jhammond
4 461 Sep 22nd 12:10 pm
Jhammond
using FOPTIMIZE
Started By : Jhammond
0 321 Sep 21st 8:30 pm
Jhammond
CCSDTLR Not Compiled Error in Example ccsdt_polar_small.nw1 2
Started By : Xiongyan21
28 7968 Sep 21st 3:36 pm
Jhammond
NWChem 6.6 Compiling on Cray: FTN Recursive Include Error
Started By : Pyswagoras
3 482 Sep 21st 3:13 pm
Jhammond
NWCHEM 6-6 on Mageia 5
Started By : Alfcanova
1 345 Sep 21st 3:07 pm
Jhammond
nwchem-6.6 compilation error from source
Started By : Neo
6 498 Sep 21st 3:22 am
Neo
why nwchem_6.0 crashes in parallel run
Started By : Neo
2 378 Sep 14th 9:05 pm
Neo
NWChem seg fault crashes on Centos 7.2
Started By : Deej
10 969 Sep 1st 5:46 pm
Jdmoore2004
NWChem in Spack package manager
Started By : Den59
0 409 Aug 29th 7:25 am
Den59
NWChem 6.3 library containing MPI_Init no
Started By : Andrew
4 418 Aug 25th 9:28 am
Edoapra
NWChem 6.6: MA fatal error: MA_sizeof: invalid datatype (macOS)
Started By : Den59
12 749 Aug 24th 2:05 pm
Den59
NWChem 6.6: util_getppn.patch is already partly applied
Started By : Den59
1 385 Aug 23rd 9:02 am
Edoapra
NWChem 6.6 for BlueGene/Q
Started By : Chiensh
15 1410 Aug 10th 10:49 pm
Buchwj
NWChem 6.6 compilation fails on mac
Started By : Nevensky
5 479 Aug 8th 4:45 pm
Edoapra

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