Compiling NWChem

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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 44 Dec 14th 1:51 pm
Edoapra
Bug in Raman code
Started By : Sean
0 2072 Feb 2nd 5:45 pm
Sean
NWChem 6.6: bug in geometry optimization
Started By : Edoapra
5 2194 Jan 28th 1:50 pm
Edoapra

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Thread Title Replies Views Last Action
Is the following combination of env. variables required on MAC OS 10.10.3 When compiled with Python?
Started By : Xiongyan21
2 1194 May 9th 11:53 pm
Xiongyan21
BLUEGENE compilation for big number of atoms
Started By : CoolEsza
0 780 May 4th 1:42 am
CoolEsza
When compiled with Python is the following combination of env. variables required on MAC OS 10.10.3?
Started By : Xiongyan21
0 644 May 2nd 6:42 am
Xiongyan21
multiple definition of `util_mic_set_affinity_' at util_mic_support.c:176
Started By : Puneet336
1 2047 May 1st 5:10 pm
Edoapra
error with opmpi1.65 and gfortran
Started By : Zhanfei
1 995 Apr 27th 10:41 am
Edoapra
compile NWCHEM 6.5 ubuntu 14.04 error
Started By : Dali
1 1119 Apr 20th 9:53 am
Edoapra
error with impi on centos7
Started By : Zhanfei
7 1277 Apr 16th 9:49 am
Edoapra
Segmentation fault with Scalapack from MKL
Started By : Attacc
5 986 Apr 15th 11:57 pm
Attacc
Simple compilation fails
Started By : Jagode
2 817 Apr 13th 6:52 pm
Jagode
compiling error on fedora with openmpi
Started By : Eenjoyzoo
2 1023 Apr 8th 2:35 pm
Marcindulak
.nwchemrc
Started By : Eenjoyzoo
0 927 Apr 3rd 8:31 am
Eenjoyzoo
executable has been created but not successful to run
Started By : Kaushikhatua
1 846 Mar 19th 1:41 pm
Edoapra
pscale.c(310): error: identifier "DLAMCHS" is undefined error
Started By : Puneet336
1 2442 Mar 13th 9:00 am
Edoapra
compile NWCHEM 6.5 ubuntu 14.04 ld error
Started By : Guillaume
3 2848 Mar 9th 5:46 pm
Vladimir
Nwchem-dev.revision26704-src.2015-01-19 compilation fails with gfortran-5.0.0
Started By : Marcindulak
8 2458 Mar 2nd 1:05 pm
Marcindulak
make fails to build nwchem on single-processor system.
Started By : Msxtj
1 1604 Feb 16th 4:21 pm
Edoapra
Nwchem-src-2014-01-28: ARMCI_NETWORK=SOCKETS no longer supported?
Started By : Marcindulak
2 2668 Feb 15th 4:27 am
Msxtj
scratch directory not accessible
Started By : Kmh603
6 2592 Feb 11th 4:39 pm
Kmh603
Windows Compiling Error
Started By : Rrenslow
1 1491 Feb 1st 8:29 am
Rrenslow
Patch apply
Started By : Masrul
0 1559 Feb 1st 1:02 am
Masrul
Intel Xeon Phi compilation error
Started By : Masrul
6 2878 Jan 29th 10:52 pm
Masrul
NWChem compilation in mixed cluster
Started By : Masrul
1 1331 Jan 24th 7:44 am
Jhammond
Building NWChem on cray failed
Started By : Sssmr
5 1856 Jan 15th 1:48 pm
Edoapra
QA tests and verification for nwchem 6.5 and hess/vib modules1 2
Started By : Statics
16 6478 Jan 2nd 2:44 pm
Edoapra
Compile Nwchem 6.5 with Intel MPI
Started By : Extremis
2 2098 Dec 31st 4:43 pm
Extremis

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