User contributions for Vaspmaster

3 November 2020

• 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
• 12:0812:08, 3 November 2020 diff hist −2‎ Category:Common Pitfalls ‎No edit summary
• 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
• 17:2517:25, 5 February 2020 diff hist +4‎ Talk:Toolchains ‎No edit summary
• 17:2517:25, 5 February 2020 diff hist +7‎ Talk:Toolchains ‎No edit summary
• 17:0917:09, 5 February 2020 diff hist +217‎ Talk:Toolchains ‎No edit summary
• 17:0517:05, 5 February 2020 diff hist +7‎ m Talk:Toolchains ‎No edit summary
• 17:0117:01, 5 February 2020 diff hist −393‎ Talk:Toolchains ‎No edit summary

3 February 2020

• 22:1022:10, 3 February 2020 diff hist +310‎ Talk:Toolchains ‎No edit summary
• 22:0222:02, 3 February 2020 diff hist +274‎ Talk:Toolchains ‎No edit summary
• 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
• 16:0716:07, 3 February 2020 diff hist +40‎ Talk:Validation tests ‎No edit summary current
• 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
• 16:0116:01, 3 February 2020 diff hist −8‎ Validation tests ‎No edit summary
• 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
• 15:5815:58, 3 February 2020 diff hist −13‎ Validation tests ‎No edit summary
• 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