Compiling NWChem

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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 2163 Dec 14th 1:51 pm
Edoapra

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Thread Title Replies Views Last Action
NWchem 6.1 with CCSDTQ and CCSDTLR
Started By : Marcinz
2 2834 Dec 10th 8:42 am
Jhammond
having some problems with 6.1.1 and qlogic openmpi1 2
Started By : Michael tn
16 10254 Dec 10th 8:21 am
Jhammond
Linking NWChem against Intel's MKL
Started By : DouDou
6 5657 Dec 10th 8:11 am
Jhammond
Compilation error in CRAY XE6 with nwchem version 6.3
Started By : Jahir123
3 1279 Nov 22nd 2:03 am
Jahir123
Depend.x file in compilation of software
Started By : Ramadavidgroup
0 1047 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 2539 Nov 12th 3:29 am
Chrisn77
How to make quadratical ROHF converge in cr_eomccsd_t_xmem calculation?
Started By : Xiongyan21
1 1249 Nov 6th 6:33 pm
Xiongyan21
compile with ifort, openmpi, ib
Started By : Ysagon
2 2496 Oct 28th 7:19 am
Ysagon
f77 and mpif77 is conflict - Not properly synchronize with make file
Started By : Jaikumar
7 2321 Oct 24th 2:27 pm
Edoapra
Are the patches already included in the source code or necessary to be installed?
Started By : Xiongyan21
2 1520 Oct 17th 6:36 pm
Xiongyan21
Global Array Toolkit Compilation Errors on Mac OS X 10.9.5
Started By : Xiongyan21
3 1744 Oct 16th 7:57 am
Xiongyan21
Cygwin not compiling - Nwchem-6.5.revision26243-src.2014-09-10
Started By : Nwchem username
5 2334 Sep 25th 12:27 pm
Edoapra
compile nwchem-6.3 with mkl (blas e lapack) sequential
Started By : Alfcanova
3 3078 Sep 24th 1:31 pm
Gabe
Error message in compiling nwchem with mpi
Started By : Cmjohns6
4 2999 Sep 24th 10:27 am
Edoapra
building NWChem with Intel 14.0 and OpenMPI 1.6.5
Started By : Miahw
5 1594 Sep 23rd 2:04 pm
Edoapra
NWChem failing to run on IB nodes
Started By : Miahw
3 1607 Sep 23rd 7:56 am
Edoapra
How to use ARMCI_NETWORK for NWChem 6.3 on SGI ICE X
Started By : Frank d
13 4262 Sep 23rd 1:46 am
Jhammond
Nwchem 6.5 and build_nwchem script.
Started By : Rafapa
2 1416 Sep 22nd 6:24 am
Ivo
Mingw32 compilation - attempt two
Started By : P99
7 3856 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 3069 Sep 16th 5:04 pm
Ohlincha
Having Issue Compiling Nwchem 6.3
Started By : Neo
9 2284 Sep 13th 5:58 am
Edoapra
Nwchem 6.3 checking whether a simple Fortran MPI program compiles... no
Started By : Reoverstreet
5 5066 Sep 13th 5:49 am
Edoapra
A bug in compiling nwchem 6.5
Started By : Hajiabadi
4 1412 Sep 11th 9:09 am
Hajiabadi
GNU make 3.82 issue
Started By : Kernelpanic
10 6178 Sep 9th 4:15 am
Neo
Issues compiling NWChem 6.0
Started By : Cuevasr
5 1190 Sep 7th 9:49 pm
Edoapra

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