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User contributions for Vaspmaster

For Vaspmaster talk block log uploads logs

16:5816:58, 14 April 2023 diff hist +1‎ ML MODE ‎No edit summary
16:5716:57, 14 April 2023 diff hist −13‎ ML MODE ‎No edit summary
16:5216:52, 14 April 2023 diff hist +1‎ ML MODE ‎No edit summary
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14:4514:45, 14 April 2023 diff hist −190‎ ML MODE ‎No edit summary
11:5911:59, 14 April 2023 diff hist −35‎ ML MODE ‎No edit summary

15:3815:38, 24 February 2023 diff hist 0‎ Precompiler options ‎ →‎-Dlibbeef
15:3815:38, 24 February 2023 diff hist −9‎ Precompiler options ‎ →‎Optional
15:3515:35, 24 February 2023 diff hist +2‎ Precompiler options ‎ →‎-DUSELIBXC

19:1019:10, 14 December 2022 diff hist −1‎ Makefile.include ‎ →‎DFTD4 (optional)
19:0919:09, 14 December 2022 diff hist +1‎ Makefile.include ‎ →‎DFTD4 (optional)
19:0819:08, 14 December 2022 diff hist +116‎ Makefile.include ‎ →‎DFTD4 (optional)

15:2915:29, 14 September 2022 diff hist −14‎ Combining MPI and OpenMP ‎ →‎Using IntelMPI current
15:2915:29, 14 September 2022 diff hist −14‎ Combining MPI and OpenMP ‎ →‎Using OpenMPI
15:2815:28, 14 September 2022 diff hist −2‎ Combining MPI and OpenMP ‎ →‎For the OpenMP runtime
15:2815:28, 14 September 2022 diff hist −6‎ Combining MPI and OpenMP ‎ →‎For the OpenMP runtime
15:2115:21, 14 September 2022 diff hist −1‎ Combining MPI and OpenMP ‎ →‎For the OpenMP runtime

08:0608:06, 19 July 2022 diff hist +3,982‎ Talk:Programming in VASP ‎No edit summary current

09:5109:51, 13 May 2022 diff hist −259‎ Known issues ‎No edit summary Tag: Visual edit: Switched

15:5815:58, 5 May 2022 diff hist +584‎ Known issues ‎No edit summary
15:3015:30, 5 May 2022 diff hist +3‎ FOCKCORR ‎No edit summary
15:1315:13, 5 May 2022 diff hist +18‎ FOCKCORR ‎No edit summary
15:0815:08, 5 May 2022 diff hist +3,619‎ N FOCKCORR ‎ Created page with "{{TAGDEF|FOCKCORR|[integer]|1 or 2 if {{TAG|LMAXFOCKAE}}>0 }} Description: The tag {{TAG|FOCKCORR}} determines how the Coulomb convergence corrections are applied. ---- The..."
13:0513:05, 5 May 2022 diff hist 0‎ Known issues ‎No edit summary

12:2512:25, 19 April 2022 diff hist +1‎ Toolchains ‎No edit summary
11:1011:10, 19 April 2022 diff hist −116‎ Construction:TODO ‎ →‎VASP Wiki backlog
11:0711:07, 19 April 2022 diff hist +9‎ Toolchains ‎ →‎Footnotes and references
11:0611:06, 19 April 2022 diff hist +344‎ Toolchains ‎ →‎Footnotes and references
11:0411:04, 19 April 2022 diff hist +51‎ Toolchains ‎ →‎VASP.6.3.0
11:0111:01, 19 April 2022 diff hist +53‎ OpenACC GPU port of VASP ‎ →‎Software stack

15:4915:49, 12 April 2022 diff hist −15‎ Construction:TODO ‎No edit summary
15:4715:47, 12 April 2022 diff hist +344‎ Construction:TODO ‎No edit summary

14:5514:55, 11 April 2022 diff hist −78‎ Combining MPI and OpenMP ‎No edit summary

12:5112:51, 9 April 2022 diff hist +3‎ Precompiler options ‎ →‎-D_OPENMP
12:5112:51, 9 April 2022 diff hist +35‎ Precompiler options ‎ →‎-D_OPENMP
12:4612:46, 9 April 2022 diff hist −32‎ Precompiler options ‎ →‎-D_OPENMP
12:3512:35, 9 April 2022 diff hist +6‎ Makefile.include ‎ →‎fftlib (recommended when using OpenMP)
12:3312:33, 9 April 2022 diff hist −1‎ Makefile.include.nvhpc omp ‎No edit summary
12:3312:33, 9 April 2022 diff hist −1‎ Makefile.include.gnu ompi aocl omp ‎No edit summary
12:3212:32, 9 April 2022 diff hist −1‎ Makefile.include.gnu omp ‎No edit summary
12:3212:32, 9 April 2022 diff hist −231‎ Makefile.include.intel omp ‎No edit summary
12:3112:31, 9 April 2022 diff hist −1‎ Makefile.include.intel omp ‎No edit summary Tag: Visual edit: Switched
12:3112:31, 9 April 2022 diff hist +18‎ Makefile.include ‎ →‎fftlib (recommended when using OpenMP)
12:3012:30, 9 April 2022 diff hist +8‎ Makefile.include ‎ →‎fftlib (recommended when using OpenMP)
12:3012:30, 9 April 2022 diff hist +16‎ Makefile.include ‎ →‎fftlib (recommended when using OpenMP)
12:2812:28, 9 April 2022 diff hist +360‎ Makefile.include ‎ →‎fftlib (recommended when using OpenMP)
11:4011:40, 9 April 2022 diff hist +227‎ Makefile.include ‎ →‎fftlib (recommended when using OpenMP)
11:3011:30, 9 April 2022 diff hist +53‎ Makefile.include ‎ →‎Customize

10:5410:54, 8 April 2022 diff hist +22‎ Shared memory ‎No edit summary
10:5210:52, 8 April 2022 diff hist +10‎ Shared memory ‎No edit summary
10:5010:50, 8 April 2022 diff hist +20‎ Shared memory ‎No edit summary
09:3209:32, 8 April 2022 diff hist −91‎ Linking to libraries ‎ →‎Libraries for linear algebra (mandatory)
09:3209:32, 8 April 2022 diff hist −124‎ Linking to libraries ‎ →‎Libraries for linear algebra (mandatory)
08:5708:57, 8 April 2022 diff hist −1‎ Shared memory ‎No edit summary
08:5408:54, 8 April 2022 diff hist 0‎ Shared memory ‎No edit summary
08:5308:53, 8 April 2022 diff hist 0‎ Shared memory ‎No edit summary
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08:4108:41, 8 April 2022 diff hist +1‎ Shared memory ‎No edit summary
08:4008:40, 8 April 2022 diff hist +118‎ Shared memory ‎No edit summary
08:3408:34, 8 April 2022 diff hist +11‎ Shared memory ‎No edit summary
08:3408:34, 8 April 2022 diff hist +156‎ Shared memory ‎No edit summary
08:3108:31, 8 April 2022 diff hist +582‎ Shared memory ‎No edit summary
08:2508:25, 8 April 2022 diff hist −1‎ Shared memory ‎No edit summary
08:2508:25, 8 April 2022 diff hist +216‎ Shared memory ‎No edit summary
08:1808:18, 8 April 2022 diff hist −5‎ Shared memory ‎No edit summary
08:1708:17, 8 April 2022 diff hist +460‎ Shared memory ‎No edit summary

21:2121:21, 7 April 2022 diff hist +28‎ Shared memory ‎No edit summary
21:2021:20, 7 April 2022 diff hist −3‎ Shared memory ‎No edit summary
21:1921:19, 7 April 2022 diff hist −1‎ Shared memory ‎No edit summary
21:1821:18, 7 April 2022 diff hist +17‎ Shared memory ‎No edit summary
21:1721:17, 7 April 2022 diff hist +691‎ Shared memory ‎No edit summary
21:1221:12, 7 April 2022 diff hist +59‎ Shared memory ‎No edit summary
21:1121:11, 7 April 2022 diff hist +95‎ Shared memory ‎ →‎Related articles
21:0821:08, 7 April 2022 diff hist −1‎ Shared memory ‎ →‎Related articles
21:0721:07, 7 April 2022 diff hist +219‎ Shared memory ‎No edit summary
21:0521:05, 7 April 2022 diff hist −3‎ Precompiler options ‎ →‎-Dsysv
21:0521:05, 7 April 2022 diff hist +96‎ Precompiler options ‎ →‎Optional
21:0321:03, 7 April 2022 diff hist +18‎ Precompiler options ‎ →‎-Dshmem_rproj
21:0321:03, 7 April 2022 diff hist +18‎ Precompiler options ‎ →‎-Dshmem_bcast_buffer
21:0321:03, 7 April 2022 diff hist +18‎ Precompiler options ‎ →‎-Duse_shmem
21:0221:02, 7 April 2022 diff hist −2,021‎ Construction:Shared memory ‎ Blanked the page current Tag: Blanking
21:0121:01, 7 April 2022 diff hist +2‎ Shared memory ‎No edit summary
20:5920:59, 7 April 2022 diff hist 0‎ Shared memory ‎No edit summary
20:5920:59, 7 April 2022 diff hist −5‎ Shared memory ‎No edit summary Tag: Visual edit: Switched
20:5820:58, 7 April 2022 diff hist +13‎ Shared memory ‎No edit summary Tag: Visual edit: Switched
20:5720:57, 7 April 2022 diff hist +2,021‎ N Shared memory ‎ Created page with "VASP is mainly parallelized using MPI, and as much as practically feasible the computational work and storage demands are distributed over the MPI ranks. Unavoidably, however,..."
19:2419:24, 7 April 2022 diff hist +2‎ Construction:Shared memory ‎No edit summary
18:3218:32, 7 April 2022 diff hist +1‎ Construction:Shared memory ‎No edit summary
18:3218:32, 7 April 2022 diff hist +94‎ Construction:Shared memory ‎No edit summary
18:2118:21, 7 April 2022 diff hist −21‎ Construction:Shared memory ‎No edit summary
18:1918:19, 7 April 2022 diff hist +20‎ Construction:Shared memory ‎No edit summary
18:1918:19, 7 April 2022 diff hist +362‎ Construction:Shared memory ‎No edit summary
18:0818:08, 7 April 2022 diff hist +2‎ Construction:Shared memory ‎No edit summary
18:0718:07, 7 April 2022 diff hist −30‎ Construction:Shared memory ‎No edit summary
17:4417:44, 7 April 2022 diff hist 0‎ Construction:Shared memory ‎No edit summary
17:4417:44, 7 April 2022 diff hist 0‎ Construction:Shared memory ‎No edit summary
17:4317:43, 7 April 2022 diff hist +280‎ Construction:Shared memory ‎No edit summary
17:4017:40, 7 April 2022 diff hist +236‎ Construction:Shared memory ‎No edit summary
17:1517:15, 7 April 2022 diff hist +1,075‎ N Construction:Shared memory ‎ Created page with "To enable shared memory one has to compile with the precompiler flag ''use_shmem''. Unlike distributed matrices the shared memory segment is allocated only once on each node a..."
17:0617:06, 7 April 2022 diff hist +4‎ Precompiler options ‎ →‎-Duse_shmem
17:0617:06, 7 April 2022 diff hist 0‎ Precompiler options ‎ →‎-Duse_shmem
17:0617:06, 7 April 2022 diff hist 0‎ Precompiler options ‎ →‎-Dshmem_rproj
17:0517:05, 7 April 2022 diff hist −1‎ Precompiler options ‎ →‎-Dshmem_bcast_buffer
17:0417:04, 7 April 2022 diff hist +202‎ Precompiler options ‎No edit summary
16:5616:56, 7 April 2022 diff hist +47‎ Precompiler options ‎ →‎-Duse_shmem
15:5315:53, 7 April 2022 diff hist +6‎ Precompiler options ‎ →‎-Duse_shmem
15:5115:51, 7 April 2022 diff hist +37‎ Precompiler options ‎No edit summary
14:5714:57, 7 April 2022 diff hist +1‎ OpenACC GPU port of VASP ‎ →‎Related articles
14:5714:57, 7 April 2022 diff hist +136‎ OpenACC GPU port of VASP ‎No edit summary
14:5514:55, 7 April 2022 diff hist +262‎ Linking to libraries ‎No edit summary
14:5414:54, 7 April 2022 diff hist +266‎ Compiler options ‎No edit summary
14:5414:54, 7 April 2022 diff hist +264‎ Precompiler options ‎No edit summary
14:5214:52, 7 April 2022 diff hist +1‎ Makefile.include ‎ →‎Related articles
14:5114:51, 7 April 2022 diff hist +246‎ Makefile.include ‎No edit summary
14:5014:50, 7 April 2022 diff hist +42‎ Toolchains ‎ →‎Related articles
14:3314:33, 7 April 2022 diff hist +16‎ Makefile.include ‎ →‎NVIDIA HPC-SDK
14:3014:30, 7 April 2022 diff hist +30‎ Installing VASP.6.X.X ‎ →‎Requirements
14:2914:29, 7 April 2022 diff hist −22‎ Installing VASP.6.X.X ‎ →‎Requirements
14:2814:28, 7 April 2022 diff hist +16‎ Installing VASP.6.X.X ‎ →‎Requirements
14:2714:27, 7 April 2022 diff hist −144‎ Installing VASP.6.X.X ‎ →‎Subdirectories in vasp.6.x.x
14:0314:03, 7 April 2022 diff hist −1‎ Installing VASP.6.X.X ‎ →‎Requirements
14:0214:02, 7 April 2022 diff hist −1‎ Installing VASP.6.X.X ‎ →‎Requirements
14:0214:02, 7 April 2022 diff hist +48‎ Installing VASP.6.X.X ‎ →‎Requirements
14:0114:01, 7 April 2022 diff hist 0‎ Installing VASP.6.X.X ‎ →‎Requirements
13:5913:59, 7 April 2022 diff hist −1‎ Installing VASP.6.X.X ‎ →‎Requirements
13:5913:59, 7 April 2022 diff hist +1‎ Installing VASP.6.X.X ‎ →‎Requirements
13:5913:59, 7 April 2022 diff hist −2‎ Installing VASP.6.X.X ‎ →‎Requirements
13:5913:59, 7 April 2022 diff hist +2‎ Installing VASP.6.X.X ‎ →‎Requirements
13:5813:58, 7 April 2022 diff hist +5‎ Installing VASP.6.X.X ‎ →‎Requirements
13:5113:51, 7 April 2022 diff hist +1‎ Installing VASP.6.X.X ‎ →‎Requirements
13:5013:50, 7 April 2022 diff hist −27‎ Installing VASP.6.X.X ‎ →‎Requirements
13:5013:50, 7 April 2022 diff hist +96‎ Installing VASP.6.X.X ‎ →‎Requirements
13:4913:49, 7 April 2022 diff hist +48‎ Installing VASP.6.X.X ‎ →‎Requirements
13:4813:48, 7 April 2022 diff hist +4‎ Installing VASP.6.X.X ‎ →‎Requirements
13:4713:47, 7 April 2022 diff hist +35‎ Installing VASP.6.X.X ‎ →‎Requirements
13:4313:43, 7 April 2022 diff hist −21‎ Installing VASP.6.X.X ‎ →‎Requirements
13:4213:42, 7 April 2022 diff hist +31‎ Installing VASP.6.X.X ‎ →‎Requirements
13:4113:41, 7 April 2022 diff hist +55‎ Installing VASP.6.X.X ‎ →‎Requirements
13:4013:40, 7 April 2022 diff hist +143‎ Installing VASP.6.X.X ‎ →‎Requirements
13:3713:37, 7 April 2022 diff hist +332‎ Installing VASP.6.X.X ‎ →‎Requirements
13:3213:32, 7 April 2022 diff hist +117‎ Installing VASP.6.X.X ‎ →‎Requirements
13:3013:30, 7 April 2022 diff hist +249‎ Installing VASP.6.X.X ‎ →‎Requirements
13:0713:07, 7 April 2022 diff hist −113‎ Installing VASP.6.X.X ‎No edit summary
13:0513:05, 7 April 2022 diff hist +1‎ Installing VASP.6.X.X ‎ →‎Requirements
13:0513:05, 7 April 2022 diff hist −36‎ Installing VASP.6.X.X ‎ →‎Requirements
11:1611:16, 7 April 2022 diff hist +10‎ Parallelization ‎No edit summary
11:1511:15, 7 April 2022 diff hist +32‎ Parallelization ‎No edit summary
11:1411:14, 7 April 2022 diff hist +57‎ Parallelization ‎No edit summary
11:1111:11, 7 April 2022 diff hist +44‎ Parallelization ‎No edit summary
11:0611:06, 7 April 2022 diff hist +9‎ Parallelization ‎ →‎Caveat about the MPI setup
10:5910:59, 7 April 2022 diff hist +38‎ Parallelization ‎No edit summary
10:5810:58, 7 April 2022 diff hist −2‎ Parallelization ‎No edit summary
08:4708:47, 7 April 2022 diff hist −10,237‎ Construction:Toolchains ‎ Blanked the page current Tag: Blanking
08:4508:45, 7 April 2022 diff hist −2,194‎ Toolchains ‎No edit summary
08:4308:43, 7 April 2022 diff hist +1,159‎ Toolchains ‎No edit summary
08:4108:41, 7 April 2022 diff hist +6‎ Construction:Toolchains ‎ →‎References
08:3708:37, 7 April 2022 diff hist +111‎ Construction:Toolchains ‎ →‎References
08:3308:33, 7 April 2022 diff hist +4‎ Construction:Toolchains ‎No edit summary
08:3208:32, 7 April 2022 diff hist +1‎ Construction:Toolchains ‎No edit summary
08:3108:31, 7 April 2022 diff hist +1,037‎ Construction:Toolchains ‎No edit summary
08:0308:03, 7 April 2022 diff hist −3,441‎ Talk:Toolchains ‎ Blanked the page Tag: Blanking
08:0208:02, 7 April 2022 diff hist +9,078‎ N Construction:Toolchains ‎ Created page with "== VASP.6.3.0 == {| class="wikitable" style="text-align: center; |- ! Compilers ! MPI ! FFT ! BLAS ! LAPACK ! ScaLAPACK ! CUDA ! HDF5 ! Other ! Remarks ! Known issues |- | int..."

16:4116:41, 6 April 2022 diff hist +140‎ Toolchains ‎No edit summary
16:3816:38, 6 April 2022 diff hist +46‎ Toolchains ‎No edit summary
16:3816:38, 6 April 2022 diff hist +18‎ Toolchains ‎No edit summary
16:3616:36, 6 April 2022 diff hist 0‎ Toolchains ‎No edit summary
16:3516:35, 6 April 2022 diff hist +2‎ Toolchains ‎ →‎Older versions of VASP.6
16:3116:31, 6 April 2022 diff hist +93‎ Toolchains ‎ →‎References
16:2916:29, 6 April 2022 diff hist +46‎ Toolchains ‎ →‎Older versions of VASP.6
15:5815:58, 6 April 2022 diff hist +2‎ Toolchains ‎No edit summary
15:5415:54, 6 April 2022 diff hist −117‎ Toolchains ‎ →‎Older versions of VASP
15:5415:54, 6 April 2022 diff hist +1,881‎ Toolchains ‎No edit summary
15:2915:29, 6 April 2022 diff hist +30‎ Toolchains ‎No edit summary
15:2615:26, 6 April 2022 diff hist +12‎ Toolchains ‎No edit summary
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14:2914:29, 6 April 2022 diff hist +287‎ Toolchains ‎No edit summary
13:2313:23, 6 April 2022 diff hist +1‎ Toolchains ‎ →‎Related Sections
13:2213:22, 6 April 2022 diff hist +3,452‎ Toolchains ‎No edit summary
13:2013:20, 6 April 2022 diff hist +350‎ Talk:Toolchains ‎No edit summary
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18:1418:14, 31 March 2022 diff hist 0‎ Talk:Toolchains ‎No edit summary
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13:1513:15, 28 March 2022 diff hist +78‎ Talk:Toolchains ‎No edit summary
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08:4308:43, 28 March 2022 diff hist −302‎ Talk:Toolchains ‎No edit summary
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17:2817:28, 23 March 2022 diff hist −265‎ Talk:Toolchains ‎No edit summary

16:1916:19, 15 March 2022 diff hist +13‎ OpenACC GPU port of VASP ‎ →‎Software stack
16:1516:15, 15 March 2022 diff hist +217‎ OpenACC GPU port of VASP ‎ →‎Software stack
16:1016:10, 15 March 2022 diff hist +12‎ OpenACC GPU port of VASP ‎ →‎Software stack
16:0316:03, 15 March 2022 diff hist −1‎ OpenACC GPU port of VASP ‎No edit summary
16:0016:00, 15 March 2022 diff hist −11‎ OpenACC GPU port of VASP ‎ →‎Software stack
15:5815:58, 15 March 2022 diff hist +22‎ OpenACC GPU port of VASP ‎ →‎Software stack
15:5615:56, 15 March 2022 diff hist −31‎ OpenACC GPU port of VASP ‎ →‎Software stack
15:5515:55, 15 March 2022 diff hist +42‎ OpenACC GPU port of VASP ‎ →‎Software stack
15:5215:52, 15 March 2022 diff hist +90‎ OpenACC GPU port of VASP ‎ →‎Software stack
15:4915:49, 15 March 2022 diff hist +71‎ OpenACC GPU port of VASP ‎ →‎Software stack
15:4215:42, 15 March 2022 diff hist +232‎ OpenACC GPU port of VASP ‎ →‎Software stack

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