Compiling NWChem

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Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups
0 1715 Jun 18th 5:01 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
0 13620 Dec 14th 2:51 pm
Edoapra

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Error in compiliation on GPU
1 904 Jun 18th 3:54 pm
Edoapra
Error when compiling NWchem 6.8
1 1393 Jun 4th 10:35 am
Edoapra
Compiling NWChem 6.8.1 on ARCHER using Intel
5 1724 Apr 25th 10:58 am
Gh3orghiu
A request for help1 2
19 6800 Apr 16th 4:50 pm
4rhanes
Compilation of NWCHEM6.8 Fails on Ubuntu17.10.2 with MPICH 3.3a2
1 994 Apr 6th 7:23 pm
Xiongyan21
Compiling/Running NWChem 6.8.1 over Intel Omni-Path and NVidia P100 offload
1 1364 Apr 2nd 10:01 am
Edoapra
Testing NWChem installation for correctness
4 1628 Mar 29th 7:45 am
Chrisn77
Compiling NWChem Ubuntu 17.10
2 1791 Mar 28th 3:27 am
Rangsiman
Compiling NWChem fails on Ubuntu 16.04
1 1299 Mar 26th 4:27 pm
Edoapra
Problem compiling on Mac OS 10.13
7 3091 Mar 1st 9:45 am
Easy Cheese
NWChem 6.6 -segmentation fault
12 2277 Feb 16th 10:26 am
Edoapra
USE_MPIF4=y
1 838 Feb 14th 11:59 am
Bylaska
64bit Integers
2 790 Feb 14th 2:14 am
Jasno
NWChem 6.8: Compilation error in libtce.a(ccsd_t.o) for Intel Phi KNC
4 1626 Feb 7th 4:05 am
Jskennyu
Compile Ubuntu
1 1003 Jan 31st 10:58 am
Edoapra
Ubuntu 14.04 - inconsistent data on presence of BLAS library
1 974 Jan 26th 6:20 pm
Edoapra
MEMKIND for FASTMEM
1 1066 Jan 19th 12:34 pm
Edoapra
USE_FASTMEM=F on KNL
0 831 Jan 16th 11:36 pm
Chiensh
Ubuntu Root Password Blocks Running NWChem6.8
1 1043 Jan 14th 2:00 am
Xiongyan21
Compiling Ubuntu 17.10
2 896 Jan 13th 5:48 pm
Diego paschoal
An attempt to run as root problem encounted by NWCHEM on Ubuntu17.10
1 1641 Jan 11th 6:34 am
Xiongyan21
NWCHEM6.8 Has Been Successfully Built on macOS High Sierra with MPICH2 3.2.1
0 974 Jan 8th 8:33 pm
Xiongyan21
Compilation of NWCHEM6.8 Failed on macOS High Sierra with Openmpi 3.0.0_1
0 1071 Jan 7th 8:06 pm
Xiongyan21
NWChem 6.6: MA fatal error: MA_sizeof: invalid datatype (macOS)
13 2748 Dec 27th 10:02 pm
Jhammond
Second Official Candidate Release of NWCHEM6.8 cannot be compiled on Ubuntu17.10
8 2734 Dec 6th 6:15 am
Xiongyan21

Forum >> NWChem's corner >> Compiling NWChem
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