Compiling NWChem

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Announcement's Replies Views Last Action
NWChem 6.6: bug in geometry optimization
Started By : Edoapra
6 2171 Dec 10th 2:17 am
Eddie007
Third release candidate for NWChem 6.8 available
Started By : Edoapra
7 337 Dec 3rd 3:06 pm
Edoapra
Bug in Raman code
Started By : Sean
0 2035 Feb 2nd 5:45 pm
Sean
Sticky: NWChem 6.6 available for download
Started By : Edoapra
0 5655 Oct 20th 3:12 pm
Edoapra

Jump to page 1Prev 252345678Next 25Last
Thread Title Replies Views Last Action
Improper compilation causes memory error during running nwchem
Started By : DanChQ
13 765 Mar 1st 2:02 am
DanChQ
Problem in running NWChem.
Started By : Bikash Patra
3 380 Feb 27th 10:03 am
Bikash Patra
MPI errors Centos 7.3
Started By : Deej
4 505 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
0 472 Feb 2nd 3:06 am
Xiongyan21
How to recompile nwchem 6.6.
Started By : Bikash Patra
0 372 Jan 25th 12:04 am
Bikash Patra
compiling on centos~~ can't find Python.h
Started By : Zww9
10 912 Jan 18th 11:36 am
Zww9
Failure to compile on MinGW with MSYS
Started By : Covalent
3 1420 Jan 17th 9:59 am
Edoapra
Error in ccsd_t after compiling
Started By : MarcelB
3 381 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
3 464 Jan 4th 6:23 pm
Edoapra
Error compiling mov2asc in opensuse
Started By : Jecerca
1 342 Dec 27th 5:16 pm
Edoapra
Compiling on RHEL 7 with MKL1 2
Started By : Afeleut
21 2216 Dec 27th 5:11 pm
Edoapra
configure: error: test for ARMCI_NETWORK=OPENIB failed
Started By : Rangsiman
0 374 Dec 13th 4:44 am
Rangsiman
Intel E5-2640v3 Haswell: No such instruction
Started By : Danielk
4 876 Dec 12th 12:04 am
Danielk
error in compilation with gfortran 5.4.0, -march=native
Started By : Ylniu
4 431 Dec 10th 7:08 pm
Ylniu
MRCC_METHODS vs MRCC_THEORY
Started By : Vladimir
3 390 Dec 7th 2:55 pm
Edoapra
Nwchem 6.6 - CentOS 7.2
Started By : Jwkeller
1 468 Nov 26th 12:39 pm
Jwkeller
-lcc_dynamic missing on latest Mac
Started By : Jhammond
4 505 Sep 22nd 11:10 am
Jhammond
using FOPTIMIZE
Started By : Jhammond
0 367 Sep 21st 7:30 pm
Jhammond
CCSDTLR Not Compiled Error in Example ccsdt_polar_small.nw1 2
Started By : Xiongyan21
28 8437 Sep 21st 2:36 pm
Jhammond
NWChem 6.6 Compiling on Cray: FTN Recursive Include Error
Started By : Pyswagoras
3 526 Sep 21st 2:13 pm
Jhammond
NWCHEM 6-6 on Mageia 5
Started By : Alfcanova
1 413 Sep 21st 2:07 pm
Jhammond
nwchem-6.6 compilation error from source
Started By : Neo
6 540 Sep 21st 2:22 am
Neo
why nwchem_6.0 crashes in parallel run
Started By : Neo
2 417 Sep 14th 8:05 pm
Neo
NWChem seg fault crashes on Centos 7.2
Started By : Deej
10 1110 Sep 1st 4:46 pm
Jdmoore2004
NWChem in Spack package manager
Started By : Den59
0 456 Aug 29th 6:25 am
Den59
NWChem 6.3 library containing MPI_Init no
Started By : Andrew
4 487 Aug 25th 8:28 am
Edoapra

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