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February 12, 2026 12:40
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(partial) EasyBuild log for failed build of /tmp/eb-9dkp3lqg/files_pr25258/w/WIEN2k/WIEN2k-24.1-intel-2025b.eb (PR(s) #25258)
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| == 2026-02-12 13:40:10,651 run.py:335 DEBUG No match for question pattern 'Please[\s\n]+specify[\s\n]+the[\s\n]+ROOT-path[\s\n]+of[\s\n]+your[\s\n]+ELPA[\s\n]+installation[\s\n]+\(like[\s\n]+/usr/local/elpa/\)[\s\n]+or[\s\n]+accept[\s\n]+present[\s\n]+path[\s\n]+\(Enter\):[\s\n]*$' at end of stdout: sqrt(MEMORY/10) (MEMORY in Bytes)! | |
| NMATMAX=20000 ==> 4GB (real) (==> cells with about 50-150 atoms/unitcell) | |
| ==> for lapw1c: NMATMAX will be reduced internally to NMATMAX/sqrt2 | |
| ==> for lapw1_mpi: NMATMAX will be increased internally to NMATMAX*sqrt(NP) | |
| NUME determines the number of states to output. As a rule of thumb one can estimate | |
| 100 basis functions per atom in the cell and 10 occupied states per atom, so set | |
| NUME=NMATMAX/10! | |
| The present values are: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Change parameters in: | |
| 1 lapw1/2 (e.g. NMATMAX, NUME) | |
| A all programs (RESTRICT_OUTPUT) | |
| Q to quit | |
| Selection: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Which parameter to change? (q to quit): | |
| == 2026-02-12 13:40:10,651 run.py:306 DEBUG Checking for question pattern 'Please[\s\n]+specify[\s\n]+the[\s\n]+lib-directory[\s\n]+of[\s\n]+your[\s\n]+ELPA[\s\n]+installation[\s\n]+\(e.g.[\s\n]+lib[\s\n]+or[\s\n]+lib64\)\!:[\s\n]*$'... | |
| == 2026-02-12 13:40:10,651 run.py:335 DEBUG No match for question pattern 'Please[\s\n]+specify[\s\n]+the[\s\n]+lib-directory[\s\n]+of[\s\n]+your[\s\n]+ELPA[\s\n]+installation[\s\n]+\(e.g.[\s\n]+lib[\s\n]+or[\s\n]+lib64\)\!:[\s\n]*$' at end of stdout: sqrt(MEMORY/10) (MEMORY in Bytes)! | |
| NMATMAX=20000 ==> 4GB (real) (==> cells with about 50-150 atoms/unitcell) | |
| ==> for lapw1c: NMATMAX will be reduced internally to NMATMAX/sqrt2 | |
| ==> for lapw1_mpi: NMATMAX will be increased internally to NMATMAX*sqrt(NP) | |
| NUME determines the number of states to output. As a rule of thumb one can estimate | |
| 100 basis functions per atom in the cell and 10 occupied states per atom, so set | |
| NUME=NMATMAX/10! | |
| The present values are: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Change parameters in: | |
| 1 lapw1/2 (e.g. NMATMAX, NUME) | |
| A all programs (RESTRICT_OUTPUT) | |
| Q to quit | |
| Selection: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Which parameter to change? (q to quit): | |
| == 2026-02-12 13:40:10,651 run.py:306 DEBUG Checking for question pattern 'Please[\s\n]+specify[\s\n]+the[\s\n]+lib-directory[\s\n]+of[\s\n]+your[\s\n]+ELPA[\s\n]+installation[\s\n]+\(e.g.[\s\n]+lib[\s\n]+or[\s\n]+lib64\):[\s\n]*$'... | |
| == 2026-02-12 13:40:10,651 run.py:335 DEBUG No match for question pattern 'Please[\s\n]+specify[\s\n]+the[\s\n]+lib-directory[\s\n]+of[\s\n]+your[\s\n]+ELPA[\s\n]+installation[\s\n]+\(e.g.[\s\n]+lib[\s\n]+or[\s\n]+lib64\):[\s\n]*$' at end of stdout: sqrt(MEMORY/10) (MEMORY in Bytes)! | |
| NMATMAX=20000 ==> 4GB (real) (==> cells with about 50-150 atoms/unitcell) | |
| ==> for lapw1c: NMATMAX will be reduced internally to NMATMAX/sqrt2 | |
| ==> for lapw1_mpi: NMATMAX will be increased internally to NMATMAX*sqrt(NP) | |
| NUME determines the number of states to output. As a rule of thumb one can estimate | |
| 100 basis functions per atom in the cell and 10 occupied states per atom, so set | |
| NUME=NMATMAX/10! | |
| The present values are: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Change parameters in: | |
| 1 lapw1/2 (e.g. NMATMAX, NUME) | |
| A all programs (RESTRICT_OUTPUT) | |
| Q to quit | |
| Selection: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Which parameter to change? (q to quit): | |
| == 2026-02-12 13:40:10,651 run.py:306 DEBUG Checking for question pattern 'Please[\s\n]+specify[\s\n]+the[\s\n]+name[\s\n]+of[\s\n]+your[\s\n]+installed[\s\n]+ELPA[\s\n]+library[\s\n]+\(e.g.[\s\n]+elpa[\s\n]+or[\s\n]+elpa_openmp\)\!:[\s\n]*$'... | |
| == 2026-02-12 13:40:10,651 run.py:335 DEBUG No match for question pattern 'Please[\s\n]+specify[\s\n]+the[\s\n]+name[\s\n]+of[\s\n]+your[\s\n]+installed[\s\n]+ELPA[\s\n]+library[\s\n]+\(e.g.[\s\n]+elpa[\s\n]+or[\s\n]+elpa_openmp\)\!:[\s\n]*$' at end of stdout: sqrt(MEMORY/10) (MEMORY in Bytes)! | |
| NMATMAX=20000 ==> 4GB (real) (==> cells with about 50-150 atoms/unitcell) | |
| ==> for lapw1c: NMATMAX will be reduced internally to NMATMAX/sqrt2 | |
| ==> for lapw1_mpi: NMATMAX will be increased internally to NMATMAX*sqrt(NP) | |
| NUME determines the number of states to output. As a rule of thumb one can estimate | |
| 100 basis functions per atom in the cell and 10 occupied states per atom, so set | |
| NUME=NMATMAX/10! | |
| The present values are: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Change parameters in: | |
| 1 lapw1/2 (e.g. NMATMAX, NUME) | |
| A all programs (RESTRICT_OUTPUT) | |
| Q to quit | |
| Selection: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Which parameter to change? (q to quit): | |
| == 2026-02-12 13:40:10,651 run.py:306 DEBUG Checking for question pattern 'Please[\s\n]+specify[\s\n]+the[\s\n]+name[\s\n]+of[\s\n]+your[\s\n]+installed[\s\n]+ELPA[\s\n]+library[\s\n]+\(e.g.[\s\n]+elpa[\s\n]+or[\s\n]+elpa_openmp\):[\s\n]*$'... | |
| == 2026-02-12 13:40:10,651 run.py:335 DEBUG No match for question pattern 'Please[\s\n]+specify[\s\n]+the[\s\n]+name[\s\n]+of[\s\n]+your[\s\n]+installed[\s\n]+ELPA[\s\n]+library[\s\n]+\(e.g.[\s\n]+elpa[\s\n]+or[\s\n]+elpa_openmp\):[\s\n]*$' at end of stdout: sqrt(MEMORY/10) (MEMORY in Bytes)! | |
| NMATMAX=20000 ==> 4GB (real) (==> cells with about 50-150 atoms/unitcell) | |
| ==> for lapw1c: NMATMAX will be reduced internally to NMATMAX/sqrt2 | |
| ==> for lapw1_mpi: NMATMAX will be increased internally to NMATMAX*sqrt(NP) | |
| NUME determines the number of states to output. As a rule of thumb one can estimate | |
| 100 basis functions per atom in the cell and 10 occupied states per atom, so set | |
| NUME=NMATMAX/10! | |
| The present values are: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Change parameters in: | |
| 1 lapw1/2 (e.g. NMATMAX, NUME) | |
| A all programs (RESTRICT_OUTPUT) | |
| Q to quit | |
| Selection: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Which parameter to change? (q to quit): | |
| == 2026-02-12 13:40:10,651 run.py:306 DEBUG Checking for question pattern '.*(?P<number>[0-9]+)\t/user/gent/400/vsc40023/eb_arcaninescratch/RHEL9/zen4-ib/software/ELPA/2025.06.002-intel-2025b/include/elpa_openmp-2025.06.002\n(.*\n)*[\s\n]*$'... | |
| == 2026-02-12 13:40:10,748 run.py:335 DEBUG No match for question pattern '.*(?P<number>[0-9]+)\t/user/gent/400/vsc40023/eb_arcaninescratch/RHEL9/zen4-ib/software/ELPA/2025.06.002-intel-2025b/include/elpa_openmp-2025.06.002\n(.*\n)*[\s\n]*$' at end of stdout: sqrt(MEMORY/10) (MEMORY in Bytes)! | |
| NMATMAX=20000 ==> 4GB (real) (==> cells with about 50-150 atoms/unitcell) | |
| ==> for lapw1c: NMATMAX will be reduced internally to NMATMAX/sqrt2 | |
| ==> for lapw1_mpi: NMATMAX will be increased internally to NMATMAX*sqrt(NP) | |
| NUME determines the number of states to output. As a rule of thumb one can estimate | |
| 100 basis functions per atom in the cell and 10 occupied states per atom, so set | |
| NUME=NMATMAX/10! | |
| The present values are: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Change parameters in: | |
| 1 lapw1/2 (e.g. NMATMAX, NUME) | |
| A all programs (RESTRICT_OUTPUT) | |
| Q to quit | |
| Selection: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Which parameter to change? (q to quit): | |
| == 2026-02-12 13:40:10,748 run.py:306 DEBUG Checking for question pattern 'S\s+Save[\s\n]+and[\s\n]+Quit[\s\n]+To[\s\n]+change[\s\n]+an[\s\n]+item[\s\n]+select[\s\n]+option.[\s\n]+Selection:[\s\n]*$'... | |
| == 2026-02-12 13:40:10,748 run.py:335 DEBUG No match for question pattern 'S\s+Save[\s\n]+and[\s\n]+Quit[\s\n]+To[\s\n]+change[\s\n]+an[\s\n]+item[\s\n]+select[\s\n]+option.[\s\n]+Selection:[\s\n]*$' at end of stdout: sqrt(MEMORY/10) (MEMORY in Bytes)! | |
| NMATMAX=20000 ==> 4GB (real) (==> cells with about 50-150 atoms/unitcell) | |
| ==> for lapw1c: NMATMAX will be reduced internally to NMATMAX/sqrt2 | |
| ==> for lapw1_mpi: NMATMAX will be increased internally to NMATMAX*sqrt(NP) | |
| NUME determines the number of states to output. As a rule of thumb one can estimate | |
| 100 basis functions per atom in the cell and 10 occupied states per atom, so set | |
| NUME=NMATMAX/10! | |
| The present values are: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Change parameters in: | |
| 1 lapw1/2 (e.g. NMATMAX, NUME) | |
| A all programs (RESTRICT_OUTPUT) | |
| Q to quit | |
| Selection: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Which parameter to change? (q to quit): | |
| == 2026-02-12 13:40:10,748 run.py:306 DEBUG Checking for question pattern 'Recommended[\s\n]+setting[\s\n]+for[\s\n]+parallel[\s\n]+f90[\s\n]+compiler:[\s\n]+.*[\s\n]+Current[\s\n]+selection:[\s\n]+Your[\s\n]+compiler:[\s\n]*$'... | |
| == 2026-02-12 13:40:10,748 run.py:335 DEBUG No match for question pattern 'Recommended[\s\n]+setting[\s\n]+for[\s\n]+parallel[\s\n]+f90[\s\n]+compiler:[\s\n]+.*[\s\n]+Current[\s\n]+selection:[\s\n]+Your[\s\n]+compiler:[\s\n]*$' at end of stdout: sqrt(MEMORY/10) (MEMORY in Bytes)! | |
| NMATMAX=20000 ==> 4GB (real) (==> cells with about 50-150 atoms/unitcell) | |
| ==> for lapw1c: NMATMAX will be reduced internally to NMATMAX/sqrt2 | |
| ==> for lapw1_mpi: NMATMAX will be increased internally to NMATMAX*sqrt(NP) | |
| NUME determines the number of states to output. As a rule of thumb one can estimate | |
| 100 basis functions per atom in the cell and 10 occupied states per atom, so set | |
| NUME=NMATMAX/10! | |
| The present values are: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Change parameters in: | |
| 1 lapw1/2 (e.g. NMATMAX, NUME) | |
| A all programs (RESTRICT_OUTPUT) | |
| Q to quit | |
| Selection: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Which parameter to change? (q to quit): | |
| == 2026-02-12 13:40:10,748 run.py:306 DEBUG Checking for question pattern 'process[\s\n]+or[\s\n]+you[\s\n]+can[\s\n]+change[\s\n]+single[\s\n]+items[\s\n]+in[\s\n]+\"Compiling[\s\n]+Options\".[\s\n]+Selection:[\s\n]*$'... | |
| == 2026-02-12 13:40:10,748 run.py:335 DEBUG No match for question pattern 'process[\s\n]+or[\s\n]+you[\s\n]+can[\s\n]+change[\s\n]+single[\s\n]+items[\s\n]+in[\s\n]+\"Compiling[\s\n]+Options\".[\s\n]+Selection:[\s\n]*$' at end of stdout: sqrt(MEMORY/10) (MEMORY in Bytes)! | |
| NMATMAX=20000 ==> 4GB (real) (==> cells with about 50-150 atoms/unitcell) | |
| ==> for lapw1c: NMATMAX will be reduced internally to NMATMAX/sqrt2 | |
| ==> for lapw1_mpi: NMATMAX will be increased internally to NMATMAX*sqrt(NP) | |
| NUME determines the number of states to output. As a rule of thumb one can estimate | |
| 100 basis functions per atom in the cell and 10 occupied states per atom, so set | |
| NUME=NMATMAX/10! | |
| The present values are: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Change parameters in: | |
| 1 lapw1/2 (e.g. NMATMAX, NUME) | |
| A all programs (RESTRICT_OUTPUT) | |
| Q to quit | |
| Selection: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Which parameter to change? (q to quit): | |
| == 2026-02-12 13:40:10,748 run.py:306 DEBUG Checking for question pattern 'A\s+Compile[\s\n]+all[\s\n]+programs[\s\n]+\(suggested\)[\s\n]+Q\s*Quit[\s\n]+Selection:[\s\n]*$'... | |
| == 2026-02-12 13:40:10,748 run.py:335 DEBUG No match for question pattern 'A\s+Compile[\s\n]+all[\s\n]+programs[\s\n]+\(suggested\)[\s\n]+Q\s*Quit[\s\n]+Selection:[\s\n]*$' at end of stdout: sqrt(MEMORY/10) (MEMORY in Bytes)! | |
| NMATMAX=20000 ==> 4GB (real) (==> cells with about 50-150 atoms/unitcell) | |
| ==> for lapw1c: NMATMAX will be reduced internally to NMATMAX/sqrt2 | |
| ==> for lapw1_mpi: NMATMAX will be increased internally to NMATMAX*sqrt(NP) | |
| NUME determines the number of states to output. As a rule of thumb one can estimate | |
| 100 basis functions per atom in the cell and 10 occupied states per atom, so set | |
| NUME=NMATMAX/10! | |
| The present values are: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Change parameters in: | |
| 1 lapw1/2 (e.g. NMATMAX, NUME) | |
| A all programs (RESTRICT_OUTPUT) | |
| Q to quit | |
| Selection: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Which parameter to change? (q to quit): | |
| == 2026-02-12 13:40:10,748 run.py:337 INFO No match found for question patterns, considering question wait patterns | |
| == 2026-02-12 13:40:10,748 run.py:347 DEBUG Checking for question wait pattern 'You[\s\n]+have[\s\n]+the[\s\n]+following[\s\n]+mkl[\s\n]+libraries[\s\n]+in[\s\n]+/user/gent/400/vsc40023/eb_arcaninescratch/RHEL9/zen4-ib/software/imkl/2025.2.0/mkl/2025.2[\s\n]+:[\s\n]*$'... | |
| == 2026-02-12 13:40:10,748 run.py:354 DEBUG No match for question wait pattern 'You[\s\n]+have[\s\n]+the[\s\n]+following[\s\n]+mkl[\s\n]+libraries[\s\n]+in[\s\n]+/user/gent/400/vsc40023/eb_arcaninescratch/RHEL9/zen4-ib/software/imkl/2025.2.0/mkl/2025.2[\s\n]+:[\s\n]*$' at end of stdout: sqrt(MEMORY/10) (MEMORY in Bytes)! | |
| NMATMAX=20000 ==> 4GB (real) (==> cells with about 50-150 atoms/unitcell) | |
| ==> for lapw1c: NMATMAX will be reduced internally to NMATMAX/sqrt2 | |
| ==> for lapw1_mpi: NMATMAX will be increased internally to NMATMAX*sqrt(NP) | |
| NUME determines the number of states to output. As a rule of thumb one can estimate | |
| 100 basis functions per atom in the cell and 10 occupied states per atom, so set | |
| NUME=NMATMAX/10! | |
| The present values are: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Change parameters in: | |
| 1 lapw1/2 (e.g. NMATMAX, NUME) | |
| A all programs (RESTRICT_OUTPUT) | |
| Q to quit | |
| Selection: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Which parameter to change? (q to quit): | |
| == 2026-02-12 13:40:10,748 run.py:347 DEBUG Checking for question wait pattern 'mpiifort([\s\n]+|[\s\n]+)*.*[\s\n]*$'... | |
| == 2026-02-12 13:40:11,002 run.py:354 DEBUG No match for question wait pattern 'mpiifort([\s\n]+|[\s\n]+)*.*[\s\n]*$' at end of stdout: sqrt(MEMORY/10) (MEMORY in Bytes)! | |
| NMATMAX=20000 ==> 4GB (real) (==> cells with about 50-150 atoms/unitcell) | |
| ==> for lapw1c: NMATMAX will be reduced internally to NMATMAX/sqrt2 | |
| ==> for lapw1_mpi: NMATMAX will be increased internally to NMATMAX*sqrt(NP) | |
| NUME determines the number of states to output. As a rule of thumb one can estimate | |
| 100 basis functions per atom in the cell and 10 occupied states per atom, so set | |
| NUME=NMATMAX/10! | |
| The present values are: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Change parameters in: | |
| 1 lapw1/2 (e.g. NMATMAX, NUME) | |
| A all programs (RESTRICT_OUTPUT) | |
| Q to quit | |
| Selection: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Which parameter to change? (q to quit): | |
| == 2026-02-12 13:40:11,004 run.py:347 DEBUG Checking for question wait pattern 'ifx([\s\n]+|[\s\n]+)*.*[\s\n]*$'... | |
| == 2026-02-12 13:40:11,007 run.py:354 DEBUG No match for question wait pattern 'ifx([\s\n]+|[\s\n]+)*.*[\s\n]*$' at end of stdout: sqrt(MEMORY/10) (MEMORY in Bytes)! | |
| NMATMAX=20000 ==> 4GB (real) (==> cells with about 50-150 atoms/unitcell) | |
| ==> for lapw1c: NMATMAX will be reduced internally to NMATMAX/sqrt2 | |
| ==> for lapw1_mpi: NMATMAX will be increased internally to NMATMAX*sqrt(NP) | |
| NUME determines the number of states to output. As a rule of thumb one can estimate | |
| 100 basis functions per atom in the cell and 10 occupied states per atom, so set | |
| NUME=NMATMAX/10! | |
| The present values are: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Change parameters in: | |
| 1 lapw1/2 (e.g. NMATMAX, NUME) | |
| A all programs (RESTRICT_OUTPUT) | |
| Q to quit | |
| Selection: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Which parameter to change? (q to quit): | |
| == 2026-02-12 13:40:11,008 run.py:347 DEBUG Checking for question wait pattern 'icx([\s\n]+|[\s\n]+)*.*[\s\n]*$'... | |
| == 2026-02-12 13:40:11,009 run.py:354 DEBUG No match for question wait pattern 'icx([\s\n]+|[\s\n]+)*.*[\s\n]*$' at end of stdout: sqrt(MEMORY/10) (MEMORY in Bytes)! | |
| NMATMAX=20000 ==> 4GB (real) (==> cells with about 50-150 atoms/unitcell) | |
| ==> for lapw1c: NMATMAX will be reduced internally to NMATMAX/sqrt2 | |
| ==> for lapw1_mpi: NMATMAX will be increased internally to NMATMAX*sqrt(NP) | |
| NUME determines the number of states to output. As a rule of thumb one can estimate | |
| 100 basis functions per atom in the cell and 10 occupied states per atom, so set | |
| NUME=NMATMAX/10! | |
| The present values are: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Change parameters in: | |
| 1 lapw1/2 (e.g. NMATMAX, NUME) | |
| A all programs (RESTRICT_OUTPUT) | |
| Q to quit | |
| Selection: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Which parameter to change? (q to quit): | |
| == 2026-02-12 13:40:11,009 run.py:347 DEBUG Checking for question wait pattern '.*SRC_.*[\s\n]*$'... | |
| == 2026-02-12 13:40:11,016 run.py:354 DEBUG No match for question wait pattern '.*SRC_.*[\s\n]*$' at end of stdout: sqrt(MEMORY/10) (MEMORY in Bytes)! | |
| NMATMAX=20000 ==> 4GB (real) (==> cells with about 50-150 atoms/unitcell) | |
| ==> for lapw1c: NMATMAX will be reduced internally to NMATMAX/sqrt2 | |
| ==> for lapw1_mpi: NMATMAX will be increased internally to NMATMAX*sqrt(NP) | |
| NUME determines the number of states to output. As a rule of thumb one can estimate | |
| 100 basis functions per atom in the cell and 10 occupied states per atom, so set | |
| NUME=NMATMAX/10! | |
| The present values are: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Change parameters in: | |
| 1 lapw1/2 (e.g. NMATMAX, NUME) | |
| A all programs (RESTRICT_OUTPUT) | |
| Q to quit | |
| Selection: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Which parameter to change? (q to quit): | |
| == 2026-02-12 13:40:11,016 run.py:356 INFO No match found for question wait patterns | |
| == 2026-02-12 13:40:11,016 run.py:357 DEBUG No match found in question (wait) patterns at end of stdout: sqrt(MEMORY/10) (MEMORY in Bytes)! | |
| NMATMAX=20000 ==> 4GB (real) (==> cells with about 50-150 atoms/unitcell) | |
| ==> for lapw1c: NMATMAX will be reduced internally to NMATMAX/sqrt2 | |
| ==> for lapw1_mpi: NMATMAX will be increased internally to NMATMAX*sqrt(NP) | |
| NUME determines the number of states to output. As a rule of thumb one can estimate | |
| 100 basis functions per atom in the cell and 10 occupied states per atom, so set | |
| NUME=NMATMAX/10! | |
| The present values are: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Change parameters in: | |
| 1 lapw1/2 (e.g. NMATMAX, NUME) | |
| A all programs (RESTRICT_OUTPUT) | |
| Q to quit | |
| Selection: | |
| PARAMETER (NMATMAX= 29000) | |
| PARAMETER (NUME= 6000) | |
| PARAMETER (RESTRICT_OUTPUT= 9999) ! 1 for mpi with less output-files | |
| Which parameter to change? (q to quit): | |
| == 2026-02-12 13:40:11,022 build_log.py:233 ERROR EasyBuild encountered an error: No matching questions found for current command output, giving up after 200 seconds! (at easybuild/easybuild-framework/easybuild/tools/run.py:572 in run_shell_cmd) | |
| Callstack: | |
| easybuild/easybuild-framework/easybuild/tools/run.py:572 in run_shell_cmd | |
| easybuild/easybuild-framework/easybuild/tools/run.py:191 in cache_aware_func | |
| easybuild/easybuild-easyblocks/easybuild/easyblocks/w/wien2k.py:364 in configure_step | |
| easybuild/easybuild-framework/easybuild/framework/easyblock.py:4773 in run_step | |
| easybuild/easybuild-framework/easybuild/framework/easyblock.py:4932 in run_all_steps | |
| easybuild/easybuild-framework/easybuild/framework/easyblock.py:5120 in build_and_install_one | |
| easybuild/easybuild-framework/easybuild/main.py:180 in build_and_install_software | |
| easybuild/easybuild-framework/easybuild/main.py:614 in process_eb_args | |
| easybuild/easybuild-framework/easybuild/main.py:798 in main | |
| easybuild/easybuild-framework/easybuild/main.py:847 in main_with_hooks | |
| easybuild/easybuild-framework/easybuild/main.py:862 in <module> | |
| == 2026-02-12 13:40:11,022 build_log.py:329 INFO ... (took 16 mins 24 secs) | |
| == 2026-02-12 13:40:11,024 config.py:773 DEBUG software install path as specified by 'installpath' and 'subdir_software': /user/gent/400/vsc40023/eb_arcaninescratch/RHEL9/zen4-ib/software | |
| == 2026-02-12 13:40:11,024 filetools.py:2152 INFO Removing lock /user/gent/400/vsc40023/eb_arcaninescratch/RHEL9/zen4-ib/software/.locks/_user_gent_400_vsc40023_eb_arcaninescratch_RHEL9_zen4-ib_software_WIEN2k_24.1-intel-2025b.lock... | |
| == 2026-02-12 13:40:11,026 filetools.py:423 INFO Path /user/gent/400/vsc40023/eb_arcaninescratch/RHEL9/zen4-ib/software/.locks/_user_gent_400_vsc40023_eb_arcaninescratch_RHEL9_zen4-ib_software_WIEN2k_24.1-intel-2025b.lock successfully removed. | |
| == 2026-02-12 13:40:11,026 filetools.py:2156 INFO Lock removed: /user/gent/400/vsc40023/eb_arcaninescratch/RHEL9/zen4-ib/software/.locks/_user_gent_400_vsc40023_eb_arcaninescratch_RHEL9_zen4-ib_software_WIEN2k_24.1-intel-2025b.lock | |
| == 2026-02-12 13:40:11,026 easyblock.py:398 INFO Closing log for application name WIEN2k version 24.1 |
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