User contributions for Vaspmaster
11 February 2021
- 16:0616:06, 11 February 2021 diff hist +770 Talk:Hybrid MPI/OpenMP parallelization No edit summary
- 15:5715:57, 11 February 2021 diff hist +31 Talk:Hybrid MPI/OpenMP parallelization No edit summary
- 15:5515:55, 11 February 2021 diff hist +2 Talk:Hybrid MPI/OpenMP parallelization →Using OpenMPI
- 15:5415:54, 11 February 2021 diff hist +236 Talk:Hybrid MPI/OpenMP parallelization →Using OpenMPI
- 15:4915:49, 11 February 2021 diff hist +469 Talk:Hybrid MPI/OpenMP parallelization →Using OpenMPI
- 15:3015:30, 11 February 2021 diff hist 0 Talk:Hybrid MPI/OpenMP parallelization →Compilation
- 15:2915:29, 11 February 2021 diff hist +205 Talk:Hybrid MPI/OpenMP parallelization →Compilation
- 15:2715:27, 11 February 2021 diff hist +249 Talk:Hybrid MPI/OpenMP parallelization →Compilation
- 15:0515:05, 11 February 2021 diff hist 0 Talk:Hybrid MPI/OpenMP parallelization →Using OpenMPI
- 15:0515:05, 11 February 2021 diff hist +23 Talk:Hybrid MPI/OpenMP parallelization →Using OpenMPI
- 15:0415:04, 11 February 2021 diff hist +1 Talk:Hybrid MPI/OpenMP parallelization →Using OpenMPI
- 15:0415:04, 11 February 2021 diff hist +536 Talk:Hybrid MPI/OpenMP parallelization →Using OpenMPI
- 14:5614:56, 11 February 2021 diff hist +138 Talk:Hybrid MPI/OpenMP parallelization →Running multiple OpenMP threads per MPI-rank
- 14:5214:52, 11 February 2021 diff hist +446 Talk:Hybrid MPI/OpenMP parallelization →Running multiple OpenMP threads per MPI-rank
- 14:4714:47, 11 February 2021 diff hist +673 Talk:Hybrid MPI/OpenMP parallelization →Running multiple OpenMP threads per MPI-rank
- 14:3214:32, 11 February 2021 diff hist +22 Talk:Hybrid MPI/OpenMP parallelization →Running multiple OpenMP threads per MPI-rank
- 14:3114:31, 11 February 2021 diff hist +151 Talk:Hybrid MPI/OpenMP parallelization No edit summary
- 14:2914:29, 11 February 2021 diff hist −1 Talk:Hybrid MPI/OpenMP parallelization No edit summary
- 14:2614:26, 11 February 2021 diff hist +643 Talk:Hybrid MPI/OpenMP parallelization →Compilation
- 14:1814:18, 11 February 2021 diff hist +208 Talk:Hybrid MPI/OpenMP parallelization →Compilation
- 14:1714:17, 11 February 2021 diff hist +60 Talk:Hybrid MPI/OpenMP parallelization →Compilation
- 14:1614:16, 11 February 2021 diff hist +26 Talk:Hybrid MPI/OpenMP parallelization →Compilation
- 14:1514:15, 11 February 2021 diff hist +19 Talk:Hybrid MPI/OpenMP parallelization →Compilation
- 14:1314:13, 11 February 2021 diff hist +104 Talk:Hybrid MPI/OpenMP parallelization →Compilation
- 14:1114:11, 11 February 2021 diff hist 0 Talk:Hybrid MPI/OpenMP parallelization →Using Intel-MPI
- 14:1114:11, 11 February 2021 diff hist +117 Talk:Hybrid MPI/OpenMP parallelization No edit summary
- 14:0814:08, 11 February 2021 diff hist +44 N Talk:Hybrid MPI/OpenMP parallelization Created page with " Category:VASPCategory:Installation"
- 12:2912:29, 11 February 2021 diff hist −20 OpenACC GPU port of VASP →Running the OpenACC version
- 12:2712:27, 11 February 2021 diff hist +3 OpenACC GPU port of VASP →Related Tags and Sections
- 12:2512:25, 11 February 2021 diff hist +210 OpenACC GPU port of VASP No edit summary
- 12:2112:21, 11 February 2021 diff hist +165 OpenACC GPU port of VASP No edit summary
- 12:0412:04, 11 February 2021 diff hist +593 OpenACC GPU port of VASP No edit summary
- 00:3000:30, 11 February 2021 diff hist −5 OpenACC GPU port of VASP →Running the OpenACC version
- 00:2900:29, 11 February 2021 diff hist +44 OpenACC GPU port of VASP →Running the OpenACC version
- 00:2700:27, 11 February 2021 diff hist 0 OpenACC GPU port of VASP →Running the OpenACC version
- 00:2400:24, 11 February 2021 diff hist 0 OpenACC GPU port of VASP →Running the OpenACC version
- 00:2300:23, 11 February 2021 diff hist +3 OpenACC GPU port of VASP →Running the OpenACC version
- 00:2200:22, 11 February 2021 diff hist −1 OpenACC GPU port of VASP →Features and limitations
10 February 2021
- 20:1820:18, 10 February 2021 diff hist +351 OpenACC GPU port of VASP →Software stack
- 18:1818:18, 10 February 2021 diff hist +16 OpenACC GPU port of VASP →Running the OpenACC version
- 18:1418:14, 10 February 2021 diff hist +31 OpenACC GPU port of VASP →Running the OpenACC version
- 18:1118:11, 10 February 2021 diff hist −3 OpenACC GPU port of VASP →Running the OpenACC version
- 18:0618:06, 10 February 2021 diff hist +1 OpenACC GPU port of VASP →Running the OpenACC version
- 18:0518:05, 10 February 2021 diff hist −2 OpenACC GPU port of VASP →Running the OpenACC version
- 18:0518:05, 10 February 2021 diff hist +4 OpenACC GPU port of VASP →Running the OpenACC version
- 18:0418:04, 10 February 2021 diff hist +701 OpenACC GPU port of VASP →Running the OpenACC version
- 17:5117:51, 10 February 2021 diff hist 0 OpenACC GPU port of VASP →Running the OpenACC version
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- 17:5117:51, 10 February 2021 diff hist +2 OpenACC GPU port of VASP →Running the OpenACC version
- 17:5017:50, 10 February 2021 diff hist +86 OpenACC GPU port of VASP No edit summary
- 17:5017:50, 10 February 2021 diff hist +537 OpenACC GPU port of VASP →Running the OpenACC version
- 17:3017:30, 10 February 2021 diff hist +1 OpenACC GPU port of VASP →Running the OpenACC version
- 17:2917:29, 10 February 2021 diff hist +160 OpenACC GPU port of VASP →Running the OpenACC version
- 17:2617:26, 10 February 2021 diff hist +1 OpenACC GPU port of VASP →Running the OpenACC version
- 17:2517:25, 10 February 2021 diff hist +148 OpenACC GPU port of VASP →Running the OpenACC version
- 17:1117:11, 10 February 2021 diff hist +32 OpenACC GPU port of VASP →Running the OpenACC version
- 17:0917:09, 10 February 2021 diff hist +100 OpenACC GPU port of VASP →Running the OpenACC version
- 16:4916:49, 10 February 2021 diff hist +373 OpenACC GPU port of VASP No edit summary
- 16:4016:40, 10 February 2021 diff hist +104 OpenACC GPU port of VASP No edit summary
- 16:3116:31, 10 February 2021 diff hist +830 OpenACC GPU port of VASP No edit summary
26 January 2021
- 19:4019:40, 26 January 2021 diff hist 0 OpenACC GPU port of VASP No edit summary
- 19:3919:39, 26 January 2021 diff hist 0 OpenACC GPU port of VASP No edit summary
- 19:3519:35, 26 January 2021 diff hist +143 OpenACC GPU port of VASP →Software stack
- 19:3419:34, 26 January 2021 diff hist +32 OpenACC GPU port of VASP →Software stack
- 19:2019:20, 26 January 2021 diff hist 0 OpenACC GPU port of VASP No edit summary
- 15:4715:47, 26 January 2021 diff hist −7 OpenACC GPU port of VASP No edit summary
- 15:4715:47, 26 January 2021 diff hist +37 OpenACC GPU port of VASP No edit summary
- 15:4215:42, 26 January 2021 diff hist +503 OpenACC GPU port of VASP No edit summary
23 January 2021
- 10:2910:29, 23 January 2021 diff hist +740 OpenACC GPU port of VASP No edit summary
- 10:0310:03, 23 January 2021 diff hist +320 OpenACC GPU port of VASP No edit summary
- 09:5509:55, 23 January 2021 diff hist +461 OpenACC GPU port of VASP No edit summary
- 09:4009:40, 23 January 2021 diff hist +316 N OpenACC GPU port of VASP Created page with "== Requirements == === Software stack === === Hardware === == Running the OpenACC version == == Credits == == Related Tags and Sections == Installing_VASP.6.X.X|I..."
22 January 2021
- 18:5018:50, 22 January 2021 diff hist +6 Template:Warning No edit summary current
- 18:4518:45, 22 January 2021 diff hist +149 Template:Warning No edit summary
- 18:2818:28, 22 January 2021 diff hist +135 CUDA-C GPU port of VASP No edit summary
- 18:2718:27, 22 January 2021 diff hist −135 CUDA-C GPU port of VASP No edit summary
- 18:2118:21, 22 January 2021 diff hist +63 CUDA-C GPU port of VASP No edit summary
- 18:1918:19, 22 January 2021 diff hist +288 CUDA-C GPU port of VASP No edit summary
- 17:0417:04, 22 January 2021 diff hist +7 Toolchains No edit summary
- 17:0217:02, 22 January 2021 diff hist +21 Installing VASP.5.X.X No edit summary
- 17:0017:00, 22 January 2021 diff hist 0 m CUDA-C GPU port of VASP Vaspmaster moved page GPU port of VASP to CUDA-C GPU port of VASP without leaving a redirect
21 January 2021
- 19:4619:46, 21 January 2021 diff hist +16 Talk:Precompiler options No edit summary
- 19:4619:46, 21 January 2021 diff hist +120 Talk:Precompiler options No edit summary
- 19:3019:30, 21 January 2021 diff hist −79 Talk:Precompiler options No edit summary
- 19:2919:29, 21 January 2021 diff hist −23,413 Construction talk:Installing VASP.6.X.X deprecated Blanked the page Tag: Blanking
- 19:2619:26, 21 January 2021 diff hist +1 Talk:Precompiler options No edit summary
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- 19:2119:21, 21 January 2021 diff hist +72 Talk:Precompiler options No edit summary
- 19:1919:19, 21 January 2021 diff hist +328 Talk:Precompiler options No edit summary
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- 19:0719:07, 21 January 2021 diff hist +291 Talk:Precompiler options No edit summary
- 19:0219:02, 21 January 2021 diff hist +33 Talk:Precompiler options No edit summary
- 18:5618:56, 21 January 2021 diff hist +3 Talk:Precompiler options No edit summary
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- 18:5018:50, 21 January 2021 diff hist 0 Talk:Precompiler options No edit summary
- 18:4918:49, 21 January 2021 diff hist +2,544 N Talk:Precompiler options Created page with "== Recommended == ;-DHOST=[string] :A string (20 characters max.) that describes the platform on which VASP is compiled, e.g.: -DHOST=\"LinuxIFC\" :for a Linux host using a..."
20 January 2021
- 12:3912:39, 20 January 2021 diff hist +108 Makefile.include.linux intel No edit summary
- 11:1611:16, 20 January 2021 diff hist +23,350 Construction talk:Installing VASP.6.X.X deprecated No edit summary
7 January 2021
17 December 2020
- 15:5115:51, 17 December 2020 diff hist −29 INCAR No edit summary
22 November 2020
- 15:5815:58, 22 November 2020 diff hist +9 LDAUPRINT No edit summary
12 November 2020
- 19:1819:18, 12 November 2020 diff hist +407 LSORBIT →Assumptions and output
3 November 2020
- 12:2912:29, 3 November 2020 diff hist −5 The VASP Manual →Featured topics
- 12:2812:28, 3 November 2020 diff hist +16 Category:Common Pitfalls No edit summary
- 12:1012:10, 3 November 2020 diff hist −50 Category:Common Pitfalls No edit summary
- 12:0812:08, 3 November 2020 diff hist −4 Category:Common Pitfalls No edit summary
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- 12:0712:07, 3 November 2020 diff hist +2 Category:Common Pitfalls No edit summary
- 12:0712:07, 3 November 2020 diff hist +11 Category:Common Pitfalls No edit summary
- 12:0612:06, 3 November 2020 diff hist 0 m Be careful with the default smearing method (ISMEAR=1) Vaspmaster moved page Smearing be careful with the default ISMEAR to Be careful with the default smearing method (ISMEAR=1) without leaving a redirect current
- 12:0012:00, 3 November 2020 diff hist +25 High quality quantitative versus qualitative calculations No edit summary current
- 11:4611:46, 3 November 2020 diff hist −5 Energy cut off and FFT mesh No edit summary current
- 11:4511:45, 3 November 2020 diff hist −5 Number of k points and method for smearing No edit summary
- 11:4311:43, 3 November 2020 diff hist −5 Performance issues, try NCORE, KPAR, ALGO, LREAL No edit summary
- 11:4311:43, 3 November 2020 diff hist −5 High quality quantitative versus qualitative calculations No edit summary
- 11:4211:42, 3 November 2020 diff hist −5 Wrap-around errors No edit summary
- 11:4211:42, 3 November 2020 diff hist −5 Technical errors No edit summary
- 11:4111:41, 3 November 2020 diff hist −5 Number of bands NBANDS No edit summary current
- 11:3811:38, 3 November 2020 diff hist −5 Be careful with the default smearing method (ISMEAR=1) No edit summary
- 11:3611:36, 3 November 2020 diff hist 0 m Category:Common Pitfalls Vaspmaster moved page Category:Calculational issues to Category:Common Pitfalls
- 11:3211:32, 3 November 2020 diff hist −5 The VASP Manual →Featured topics
- 09:5009:50, 3 November 2020 diff hist +2 Not enough memory No edit summary
2 June 2020
- 12:0112:01, 2 June 2020 diff hist +303 Talk:KPOINTS No edit summary current
1 June 2020
- 16:1616:16, 1 June 2020 diff hist −2,030 Talk:KPOINTS Replaced content with "== Convergence with respect to k-point sampling ==" Tag: Replaced
28 May 2020
- 17:0217:02, 28 May 2020 diff hist −9 The VASP Manual →Getting started
- 12:2012:20, 28 May 2020 diff hist −13 Template:Cite No edit summary
- 12:1812:18, 28 May 2020 diff hist +197 Template:Cite No edit summary
- 12:1112:11, 28 May 2020 diff hist +259 Template:Cite No edit summary
26 May 2020
- 23:1923:19, 26 May 2020 diff hist +6 Talk:KPOINTS No edit summary
- 19:3019:30, 26 May 2020 diff hist +2,074 N Talk:KPOINTS Created page with " On the fifth, sixth and seventh line the generating basis vectors must be given and the eighth line supplies the shift (if one likes to shift the k-mesh off <math>\Gamma</mat..."
5 February 2020
- 17:3417:34, 5 February 2020 diff hist +244 Talk:Toolchains No edit summary
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- 17:0517:05, 5 February 2020 diff hist +7 m Talk:Toolchains No edit summary
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3 February 2020
- 22:1022:10, 3 February 2020 diff hist +310 Talk:Toolchains No edit summary
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- 21:4821:48, 3 February 2020 diff hist −158 Talk:Toolchains No edit summary
- 21:4821:48, 3 February 2020 diff hist +330 N Talk:Toolchains Created page with "{| class="wikitable" ! Compilers ! BLAS ! LAPACK ! ScaLAPACK ! MPI ! CUDA ! Other |- | | | | | | | |- | | | | | | | |- | | | | | | | |} {| class="wikitab..."
- 16:1516:15, 3 February 2020 diff hist −2 Validation tests No edit summary
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- 16:0516:05, 3 February 2020 diff hist −1,079 Talk:Validation tests Blanked the page Tag: Blanking
- 16:0416:04, 3 February 2020 diff hist +3 Validation tests No edit summary
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- 16:0016:00, 3 February 2020 diff hist 0 Validation tests No edit summary
- 15:5915:59, 3 February 2020 diff hist +3 Validation tests No edit summary
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- 15:5715:57, 3 February 2020 diff hist +414 Validation tests No edit summary
- 15:3615:36, 3 February 2020 diff hist +619 N Cuda.conf Created page with "<pre> # # N.B.: there is no CUDA-GPU gamma-only version # export VASP_TESTSUITE_EXE_STD="mpirun -np 4 $PWD/../bin/vasp_gpu" export VASP_TESTSUITE_EXE_NCL="mpirun -np 4 $PWD/....." current
- 15:3515:35, 3 February 2020 diff hist +522 N Ompi+omp.conf Created page with "<pre> # # define the commands that run vasp_std, vasp_ncl, and vasp_gam # kmp="-x KMP_AFFINITY=verbose,granularity=fine,compact,1,0 -x KMP_STACKSIZE=512m" nthrds=4 nranks=2..." current
- 15:3515:35, 3 February 2020 diff hist +13 Impi+omp.conf No edit summary current
- 15:3415:34, 3 February 2020 diff hist +389 N Impi+omp.conf Created page with "# # define the commands that run vasp_std, vasp_ncl, and vasp_gam # nthrds=4 nranks=2 mpi="-np $nranks -ppn $nranks" omp="-genv OMP_NUM_THREADS=$nthrds -genv OMP_STACKSIZE=51..."
- 15:3415:34, 3 February 2020 diff hist +372 N Fast.conf Created page with "<pre> # # define the commands that run vasp_std, vasp_ncl, and vasp_gam # # Default: # ##export VASP_TESTSUITE_EXE_STD="mpirun -np 4 $PWD/../bin/vasp_std" ##export VASP_TESTSU..." current
- 15:3315:33, 3 February 2020 diff hist +297 N All.conf Created page with "<pre> # # define the commands that run vasp_std, vasp_ncl, and vasp_gam # # Default: # ##export VASP_TESTSUITE_EXE_STD="mpirun -np 4 $PWD/../bin/vasp_std" ##export VASP_TESTSU..." current
- 15:3315:33, 3 February 2020 diff hist −10 Validation tests No edit summary
- 15:3215:32, 3 February 2020 diff hist −2 Validation tests No edit summary
- 15:3215:32, 3 February 2020 diff hist +406 Validation tests No edit summary
- 15:0815:08, 3 February 2020 diff hist −44 Validation tests No edit summary
- 15:0715:07, 3 February 2020 diff hist +958 Validation tests No edit summary
- 15:0715:07, 3 February 2020 diff hist +987 Talk:Validation tests No edit summary
- 14:4214:42, 3 February 2020 diff hist +5 Validation tests No edit summary
- 14:3814:38, 3 February 2020 diff hist −4 MediaWiki:Sitenotice No edit summary
- 14:3514:35, 3 February 2020 diff hist −32 MediaWiki:Sitenotice No edit summary
2 February 2020
- 19:4019:40, 2 February 2020 diff hist +30 Construction talk:Installing VASP.6.X.X deprecated No edit summary
- 19:3819:38, 2 February 2020 diff hist +33 Construction talk:Installing VASP.6.X.X deprecated No edit summary
- 19:2119:21, 2 February 2020 diff hist −110 Construction talk:Installing VASP.6.X.X deprecated Blanked the page Tag: Blanking
31 January 2020
- 17:4517:45, 31 January 2020 diff hist +44 Talk:Validation tests No edit summary
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- 17:4117:41, 31 January 2020 diff hist +28 Construction talk:Installing VASP.6.X.X deprecated No edit summary
- 17:3217:32, 31 January 2020 diff hist +82 N Construction talk:Installing VASP.6.X.X deprecated Created page with "* Need to add the QD library for PGI! * Need to add the remark about LAPACK.3.3.6"
- 17:3017:30, 31 January 2020 diff hist +24 Toolchains →Related Sections
- 17:2917:29, 31 January 2020 diff hist −21,192 Talk:Installing VASP Blanked the page current Tag: Blanking
- 17:2517:25, 31 January 2020 diff hist +6 Validation tests →Related Sections
- 17:2317:23, 31 January 2020 diff hist +6 Validation tests No edit summary
- 17:1717:17, 31 January 2020 diff hist −136 Installing VASP.5.X.X No edit summary
- 17:1617:16, 31 January 2020 diff hist +17,134 N Installing VASP.5.X.X Created page with "== Requirements == For the compilation of the parallel version of VASP the following software is mandatory: * Fortran and C compilers. * An implementation of MPI (Message Pa..."
- 16:4916:49, 31 January 2020 diff hist +60 Talk:Installing VASP No edit summary
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30 January 2020
- 18:5918:59, 30 January 2020 diff hist +3 Talk:Installing VASP No edit summary
- 18:5718:57, 30 January 2020 diff hist +568 Talk:Installing VASP →For vasp.5.4.4.18Apr17-6-g9f103f2a35
- 18:5718:57, 30 January 2020 diff hist +964 Talk:Installing VASP →For vasp.5.4.1.05Feb16 (with GPU support)
- 18:5618:56, 30 January 2020 diff hist +499 Talk:Installing VASP →For vasp.5.4.1.24Jun15
- 18:3318:33, 30 January 2020 diff hist +1 Talk:Installing VASP No edit summary
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- 17:3717:37, 30 January 2020 diff hist +428 Talk:Installing VASP →Fast-Fourier-Transforms
- 17:2817:28, 30 January 2020 diff hist +1,150 Talk:Installing VASP →Fast-Fourier-Transforms
- 17:2117:21, 30 January 2020 diff hist +29 Talk:Installing VASP →The list of objects
- 17:2017:20, 30 January 2020 diff hist +8 Talk:Installing VASP →The list of objects
- 17:2017:20, 30 January 2020 diff hist +424 Talk:Installing VASP →The list of objects
- 17:1817:18, 30 January 2020 diff hist −1 Talk:Installing VASP →Compiler variables
- 17:1817:18, 30 January 2020 diff hist −1 Talk:Installing VASP →Precompiler variables
- 17:1817:18, 30 January 2020 diff hist −1 Talk:Installing VASP →Archetypical makefile.include files
- 17:1717:17, 30 January 2020 diff hist −1 Talk:Installing VASP →Build system
- 17:1717:17, 30 January 2020 diff hist −1 Talk:Installing VASP →How to make VASP
- 17:1717:17, 30 January 2020 diff hist −7 Talk:Installing VASP →Requirements
- 17:1617:16, 30 January 2020 diff hist 0 Talk:Installing VASP →Requirements
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- 15:5215:52, 30 January 2020 diff hist +1 Talk:Installing VASP →Linking against libraries
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- 15:2115:21, 30 January 2020 diff hist −6 Talk:Installing VASP →Requirements
- 15:2015:20, 30 January 2020 diff hist −6 Talk:Installing VASP →Build system