Compiling NWChem

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compile NWCHEM 6.5 ubuntu 14.04 ld error
3 3958 Mar 9th 6:46 pm
Vladimir
Nwchem-dev.revision26704-src.2015-01-19 compilation fails with gfortran-5.0.0
8 3392 Mar 2nd 2:05 pm
Marcindulak
make fails to build nwchem on single-processor system.
1 2275 Feb 16th 5:21 pm
Edoapra
Nwchem-src-2014-01-28: ARMCI_NETWORK=SOCKETS no longer supported?
2 4318 Feb 15th 5:27 am
Msxtj
scratch directory not accessible
6 4179 Feb 11th 5:39 pm
Kmh603
Windows Compiling Error
1 2118 Feb 1st 9:29 am
Rrenslow
Patch apply
0 2117 Feb 1st 2:02 am
Masrul
Intel Xeon Phi compilation error
6 4063 Jan 29th 11:52 pm
Masrul
NWChem compilation in mixed cluster
1 1867 Jan 24th 8:44 am
Jhammond
Building NWChem on cray failed
5 2576 Jan 15th 2:48 pm
Edoapra
QA tests and verification for nwchem 6.5 and hess/vib modules1 2
16 11294 Jan 2nd 3:44 pm
Edoapra
Compile Nwchem 6.5 with Intel MPI
2 2903 Dec 31st 5:43 pm
Extremis
HWLoc on multi-core Opteron defect - how to tell NWChem to choose other MPI packages
1 2195 Dec 23rd 11:16 am
Edoapra
Compiling with MPICH
2 2349 Dec 23rd 11:14 am
Edoapra
Compiling NWCHEM with Python 3.4
1 2224 Dec 23rd 11:07 am
Edoapra
Build_nwchem script for MELLANOX
0 1698 Dec 20th 7:47 am
Semmen
MA fatal error: MA_sizeof: invalid datatype: 343597384693
5 2837 Dec 13th 7:55 pm
Eenjoyzoo
NWchem 6.1 with CCSDTQ and CCSDTLR
2 3873 Dec 10th 9:42 am
Jhammond
having some problems with 6.1.1 and qlogic openmpi1 2
16 11828 Dec 10th 9:21 am
Jhammond
Linking NWChem against Intel's MKL
6 6351 Dec 10th 9:11 am
Jhammond
Compilation error in CRAY XE6 with nwchem version 6.3
3 1502 Nov 22nd 3:03 am
Jahir123
Depend.x file in compilation of software
0 1378 Nov 13th 11:21 pm
Ramadavidgroup
NWChem 6.5 and Intel Xeon Phis with intel 14.0.3 and intelmpi 4.1.3
7 2957 Nov 12th 4:29 am
Chrisn77
How to make quadratical ROHF converge in cr_eomccsd_t_xmem calculation?
1 1530 Nov 6th 7:33 pm
Xiongyan21
compile with ifort, openmpi, ib
2 2846 Oct 28th 8:19 am
Ysagon

Forum >> NWChem's corner >> Compiling NWChem
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