Compiling NWChem

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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 267 Dec 14th 1:51 pm
Edoapra

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How to make quadratical ROHF converge in cr_eomccsd_t_xmem calculation?
Started By : Xiongyan21
1 1057 Nov 6th 6:33 pm
Xiongyan21
compile with ifort, openmpi, ib
Started By : Ysagon
2 2075 Oct 28th 7:19 am
Ysagon
f77 and mpif77 is conflict - Not properly synchronize with make file
Started By : Jaikumar
7 1973 Oct 24th 2:27 pm
Edoapra
Are the patches already included in the source code or necessary to be installed?
Started By : Xiongyan21
2 1276 Oct 17th 6:36 pm
Xiongyan21
Global Array Toolkit Compilation Errors on Mac OS X 10.9.5
Started By : Xiongyan21
3 1519 Oct 16th 7:57 am
Xiongyan21
Cygwin not compiling - Nwchem-6.5.revision26243-src.2014-09-10
Started By : Nwchem username
5 2003 Sep 25th 12:27 pm
Edoapra
compile nwchem-6.3 with mkl (blas e lapack) sequential
Started By : Alfcanova
3 2606 Sep 24th 1:31 pm
Gabe
Error message in compiling nwchem with mpi
Started By : Cmjohns6
4 2463 Sep 24th 10:27 am
Edoapra
building NWChem with Intel 14.0 and OpenMPI 1.6.5
Started By : Miahw
5 1403 Sep 23rd 2:04 pm
Edoapra
NWChem failing to run on IB nodes
Started By : Miahw
3 1275 Sep 23rd 7:56 am
Edoapra
How to use ARMCI_NETWORK for NWChem 6.3 on SGI ICE X
Started By : Frank d
13 3639 Sep 23rd 1:46 am
Jhammond
Nwchem 6.5 and build_nwchem script.
Started By : Rafapa
2 1143 Sep 22nd 6:24 am
Ivo
Mingw32 compilation - attempt two
Started By : P99
7 3088 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 2649 Sep 16th 5:04 pm
Ohlincha
Having Issue Compiling Nwchem 6.3
Started By : Neo
9 1926 Sep 13th 5:58 am
Edoapra
Nwchem 6.3 checking whether a simple Fortran MPI program compiles... no
Started By : Reoverstreet
5 4435 Sep 13th 5:49 am
Edoapra
A bug in compiling nwchem 6.5
Started By : Hajiabadi
4 1254 Sep 11th 9:09 am
Hajiabadi
GNU make 3.82 issue
Started By : Kernelpanic
10 5633 Sep 9th 4:15 am
Neo
Issues compiling NWChem 6.0
Started By : Cuevasr
5 992 Sep 7th 9:49 pm
Edoapra
"No such file or directory" during compilling NWCHEM 6.3 REV 2 or NWCHEM 6.1.1 ON MAC
Started By : Xiongyan21
1 1316 Sep 5th 8:12 am
Edoapra
Re: Beta version of NWChem 6.5 available for testing
Started By : Mpjohans
4 1355 Sep 4th 3:32 pm
Edoapra
compile nwchem-6-3.revision2-src.2013-10-17 with openmpi-1.6.4 on Ubuntu x86_64 GNU/Linux
Started By : Himadride
1 1392 Sep 2nd 5:21 pm
Edoapra
Compiling latest nwchem latest snapshot without mpi
Started By : Cmjohns6
3 1047 Sep 2nd 8:44 am
Edoapra
HOWTO: compiling nwchem-6.5 beta on Ubuntu 14.04 x86-64
Started By : Mernst
4 6337 Aug 29th 5:44 pm
Mernst
compilation problem
Started By : Clusterix
3 3598 Aug 26th 8:20 am
Edoapra

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