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benchmarks: Tune RI-MP2_ammonia.inp to emphasis dgemms

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Ole Schütt 2022-03-02 00:00:06 +01:00 • committed by Ole Schütt
parent 8301c5214c
commit 3ae2ef7db5
1 changed files with 6 additions and 6 deletions
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12
benchmarks/QS_single_node/RI-MP2_ammonia.inp
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@ -20,10 +20,10 @@
&END RI_MP2
&INTEGRALS
&WFC_GPW
CUTOFF 150
REL_CUTOFF 35
EPS_FILTER 1.0E-9
EPS_GRID 1.0E-8
CUTOFF 40
REL_CUTOFF 10
EPS_FILTER 1.0E-6
EPS_GRID 1.0E-5
&END
&END INTEGRALS
MEMORY 3000
@ -34,10 +34,10 @@
&SUBSYS
&CELL
ABC [angstrom] 5.048 5.048 5.048
MULTIPLE_UNIT_CELL 1 1 2
MULTIPLE_UNIT_CELL 1 2 2
&END CELL
&TOPOLOGY
MULTIPLE_UNIT_CELL 1 1 2
MULTIPLE_UNIT_CELL 1 2 2
&END TOPOLOGY
&COORD
N 0.988906 0.988906 0.988906