Compiling NWChem


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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
 0 9997 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
 0 12336 Dec 14th 2:51 pm
Edoapra

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Compiling NWChem 6.8.1 on ARCHER using Intel
 5 1553 Apr 25th 10:58 am
Gh3orghiu
A request for help1 2
 19 6387 Apr 16th 4:50 pm
4rhanes
Compilation of NWCHEM6.8 Fails on Ubuntu17.10.2 with MPICH 3.3a2
 1 926 Apr 6th 7:23 pm
Xiongyan21
Compiling/Running NWChem 6.8.1 over Intel Omni-Path and NVidia P100 offload
 1 1258 Apr 2nd 10:01 am
Edoapra
Testing NWChem installation for correctness
 4 1514 Mar 29th 7:45 am
Chrisn77
Compiling NWChem Ubuntu 17.10
 2 1675 Mar 28th 3:27 am
Rangsiman
Compiling NWChem fails on Ubuntu 16.04
 1 1195 Mar 26th 4:27 pm
Edoapra
Problem compiling on Mac OS 10.13
 7 2846 Mar 1st 9:45 am
Easy Cheese
NWChem 6.6 -segmentation fault
 12 2129 Feb 16th 10:26 am
Edoapra
USE_MPIF4=y
 1 762 Feb 14th 11:59 am
Bylaska
64bit Integers
 2 705 Feb 14th 2:14 am
Jasno
NWChem 6.8: Compilation error in libtce.a(ccsd_t.o) for Intel Phi KNC
 4 1521 Feb 7th 4:05 am
Jskennyu
Compile Ubuntu
 1 911 Jan 31st 10:58 am
Edoapra
Ubuntu 14.04 - inconsistent data on presence of BLAS library
 1 906 Jan 26th 6:20 pm
Edoapra
MEMKIND for FASTMEM
 1 987 Jan 19th 12:34 pm
Edoapra
USE_FASTMEM=F on KNL
 0 775 Jan 16th 11:36 pm
Chiensh
Ubuntu Root Password Blocks Running NWChem6.8
 1 983 Jan 14th 2:00 am
Xiongyan21
Compiling Ubuntu 17.10
 2 805 Jan 13th 5:48 pm
Diego paschoal
An attempt to run as root problem encounted by NWCHEM on Ubuntu17.10
 1 1485 Jan 11th 6:34 am
Xiongyan21
NWCHEM6.8 Has Been Successfully Built on macOS High Sierra with MPICH2 3.2.1
 0 918 Jan 8th 8:33 pm
Xiongyan21
Compilation of NWCHEM6.8 Failed on macOS High Sierra with Openmpi 3.0.0_1
 0 1017 Jan 7th 8:06 pm
Xiongyan21
NWChem 6.6: MA fatal error: MA_sizeof: invalid datatype (macOS)
 13 2621 Dec 27th 10:02 pm
Jhammond
Second Official Candidate Release of NWCHEM6.8 cannot be compiled on Ubuntu17.10
 8 2626 Dec 6th 6:15 am
Xiongyan21
Official Candidate Release of NWCHEM6.8 cannot be compiled on MAC
 12 1926 Nov 21st 9:47 pm
Xiongyan21
Compile only TCE part in NWChem
 1 901 Nov 3rd 12:11 pm
Edoapra

Forum >> NWChem's corner >> Compiling NWChem
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