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Avoid ELPA for small GPU runs in the benchmarks test (MP2/RPA) (#1818)

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* Update H2O-32-HF-TZ.inp

* Update H2O-32-PBE-TZ.inp

* Update H2O-32-RI-MP2-TZ.inp

* Update H2O-32-RI-dRPA-TZ.inp
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Alfio Lazzaro 2021-12-17 12:00:10 +01:00 • committed by GitHub
parent 067e01a673
commit e26e4f0681
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4 changed files with 4 additions and 0 deletions
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1
benchmarks/QS_mp2_rpa/32-H2O/H2O-32-HF-TZ.inp
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@ -72,6 +72,7 @@
&GLOBAL
PROJECT H2O-32-HF-TZ
RUN_TYPE ENERGY
PREFERRED_DIAG_LIBRARY SL
PRINT_LEVEL MEDIUM
&END GLOBAL

1
benchmarks/QS_mp2_rpa/32-H2O/H2O-32-PBE-TZ.inp
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@ -56,6 +56,7 @@
&GLOBAL
PROJECT H2O-32-PBE-TZ
RUN_TYPE ENERGY
PREFERRED_DIAG_LIBRARY SL
PRINT_LEVEL MEDIUM
&END GLOBAL

1
benchmarks/QS_mp2_rpa/32-H2O/H2O-32-RI-MP2-TZ.inp
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@ -85,6 +85,7 @@
&GLOBAL
PROJECT H2O-32-RI-MP2-TZ
RUN_TYPE ENERGY
PREFERRED_DIAG_LIBRARY SL
PRINT_LEVEL MEDIUM
&END GLOBAL

1
benchmarks/QS_mp2_rpa/32-H2O/H2O-32-RI-dRPA-TZ.inp
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@ -72,6 +72,7 @@
&GLOBAL
PROJECT H2O-32-RI-RPA-TZ
RUN_TYPE ENERGY
PREFERRED_DIAG_LIBRARY SL
PRINT_LEVEL MEDIUM
&END GLOBAL