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Reduce runtime for performance tests

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The repeated runs for RI-RPA and RI-MP2 show only small variations
This commit is contained in:
Matthias Krack 2022-09-22 11:46:15 +02:00
parent 43734768f3
commit 6aa78c0591
2 changed files with 2 additions and 22 deletions
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12
benchmarks/QS_mp2_rpa/32-H2O/RI-MP2.inp
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@ -25,17 +25,7 @@
INPUT_FILE_NAME H2O-32-HF-TZ.inp
OUTPUT_FILE_NAME H2O-32-HF-TZ.inp.log
&END JOB
# calculate RI-MP2 correlation energy (three times)
&JOB
DIRECTORY .
INPUT_FILE_NAME H2O-32-RI-MP2-TZ.inp
OUTPUT_FILE_NAME result.log
&END JOB
&JOB
DIRECTORY .
INPUT_FILE_NAME H2O-32-RI-MP2-TZ.inp
OUTPUT_FILE_NAME result.log
&END JOB
# calculate RI-MP2 correlation energy
&JOB
DIRECTORY .
INPUT_FILE_NAME H2O-32-RI-MP2-TZ.inp

12
benchmarks/QS_mp2_rpa/32-H2O/RI-RPA.inp
View file

@ -18,17 +18,7 @@
INPUT_FILE_NAME H2O-32-PBE-TZ.inp
OUTPUT_FILE_NAME H2O-32-PBE-TZ.inp.log
&END JOB
# calculate RI-RPA correlation energy (three times)
&JOB
DIRECTORY .
INPUT_FILE_NAME H2O-32-RI-dRPA-TZ.inp
OUTPUT_FILE_NAME result.log
&END JOB
&JOB
DIRECTORY .
INPUT_FILE_NAME H2O-32-RI-dRPA-TZ.inp
OUTPUT_FILE_NAME result.log
&END JOB
# calculate RI-RPA correlation energy
&JOB
DIRECTORY .
INPUT_FILE_NAME H2O-32-RI-dRPA-TZ.inp