Compiling NWChem

From NWChem

Topics related to compiling NWChem from source
Jump to: navigation, search

Announcement's Replies Views Last Action
Third release candidate for NWChem 6.8 available
Started By : Edoapra
7 348 Dec 3rd 3:06 pm
Edoapra
Bug in Raman code
Started By : Sean
0 2048 Feb 2nd 5:45 pm
Sean
NWChem 6.6: bug in geometry optimization
Started By : Edoapra
5 2177 Jan 28th 1:50 pm
Edoapra
Sticky: NWChem 6.6 available for download
Started By : Edoapra
0 5664 Oct 20th 3:12 pm
Edoapra

Jump to page 1Prev 2578910111213Next 25Last
Thread Title Replies Views Last Action
HWLoc on multi-core Opteron defect - how to tell NWChem to choose other MPI packages
Started By : Semmen
1 1629 Dec 23rd 10:16 am
Edoapra
Compiling with MPICH
Started By : Semmen
2 1611 Dec 23rd 10:14 am
Edoapra
Compiling NWCHEM with Python 3.4
Started By : Semmen
1 1557 Dec 23rd 10:07 am
Edoapra
Build_nwchem script for MELLANOX
Started By : Semmen
0 1197 Dec 20th 6:47 am
Semmen
MA fatal error: MA_sizeof: invalid datatype: 343597384693
Started By : Eenjoyzoo
5 1920 Dec 13th 6:55 pm
Eenjoyzoo
NWchem 6.1 with CCSDTQ and CCSDTLR
Started By : Marcinz
2 2481 Dec 10th 8:42 am
Jhammond
having some problems with 6.1.1 and qlogic openmpi1 2
Started By : Michael tn
16 8480 Dec 10th 8:21 am
Jhammond
Linking NWChem against Intel's MKL
Started By : DouDou
6 4809 Dec 10th 8:11 am
Jhammond
Compilation error in CRAY XE6 with nwchem version 6.3
Started By : Jahir123
3 1033 Nov 22nd 2:03 am
Jahir123
Depend.x file in compilation of software
Started By : Ramadavidgroup
0 796 Nov 13th 10:21 pm
Ramadavidgroup
NWChem 6.5 and Intel Xeon Phis with intel 14.0.3 and intelmpi 4.1.3
Started By : Chrisn77
7 2172 Nov 12th 3:29 am
Chrisn77
How to make quadratical ROHF converge in cr_eomccsd_t_xmem calculation?
Started By : Xiongyan21
1 1041 Nov 6th 6:33 pm
Xiongyan21
compile with ifort, openmpi, ib
Started By : Ysagon
2 2007 Oct 28th 7:19 am
Ysagon
f77 and mpif77 is conflict - Not properly synchronize with make file
Started By : Jaikumar
7 1908 Oct 24th 2:27 pm
Edoapra
Are the patches already included in the source code or necessary to be installed?
Started By : Xiongyan21
2 1223 Oct 17th 6:36 pm
Xiongyan21
Global Array Toolkit Compilation Errors on Mac OS X 10.9.5
Started By : Xiongyan21
3 1483 Oct 16th 7:57 am
Xiongyan21
Cygwin not compiling - Nwchem-6.5.revision26243-src.2014-09-10
Started By : Nwchem username
5 1929 Sep 25th 12:27 pm
Edoapra
compile nwchem-6.3 with mkl (blas e lapack) sequential
Started By : Alfcanova
3 2537 Sep 24th 1:31 pm
Gabe
Error message in compiling nwchem with mpi
Started By : Cmjohns6
4 2378 Sep 24th 10:27 am
Edoapra
building NWChem with Intel 14.0 and OpenMPI 1.6.5
Started By : Miahw
5 1354 Sep 23rd 2:04 pm
Edoapra
NWChem failing to run on IB nodes
Started By : Miahw
3 1226 Sep 23rd 7:56 am
Edoapra
How to use ARMCI_NETWORK for NWChem 6.3 on SGI ICE X
Started By : Frank d
13 3524 Sep 23rd 1:46 am
Jhammond
Nwchem 6.5 and build_nwchem script.
Started By : Rafapa
2 1088 Sep 22nd 6:24 am
Ivo
Mingw32 compilation - attempt two
Started By : P99
7 2935 Sep 20th 6:42 am
P99
Issue with pspw using nwchem 6.3 on AMD Bulldozer -- bug in nwchem 6.3?
Started By : Ohlincha
6 2520 Sep 16th 5:04 pm
Ohlincha

Forum >> NWChem's corner >> Compiling NWChem
Jump to page 1Prev 2578910111213Next 25Last



Who's here now Members 0 Guests 6 Bots/Crawler 10


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC