Commit f9f2ed35 authored by Valentin Reis's avatar Valentin Reis
Browse files

adding assets, bumping dhrun

parent 17f73e9d
Pipeline #6410 failed with stages
in 3 minutes and 24 seconds
Wed Apr 17 17:52:09 2019 chacal argo_nodeos_config[pid:19817]|INFO: [user:0] Normal termination
......@@ -4,7 +4,7 @@ in let message = "HelloWorld"
in let cn = "testContainer"
in let basicManifest = lib.argopkgsManifestDirPath ++ "basic.json"
in let basicManifest = lib.manifestDir ++ "basic.json"
in let argIfTest =
λ(isTest : Bool)
......@@ -13,7 +13,7 @@ in let argIfTest =
, timeout =
if isTest
then [ 60 ] : Optional Natural
then [ 600 ] : Optional Natural
else [] : Optional Natural
}
......@@ -53,8 +53,9 @@ in let apps =
"mpiexec"
[ "-n", if isTest then "2" else "24", "openmc" ]
⫽ argIfTest isTest
⫽ { passvars = [ "OPENMC_CROSS_SECTIONS" ] }
)
⫽ { pre = [ "cp -r \$OPENMC_PWD/* ." ] }
⫽ { pre = [ "cp -r " ++ lib.openmcDir ++ " ." ] }
, amg =
λ(isTest : Bool)
→ lib.progressAppTest
......@@ -132,13 +133,13 @@ in { hello =
]
, power =
lib.appTest
( lib.emptyFilterTestArgs "power"
⫽ { timeout = [ 60 ] : Optional Natural }
( lib.emptyFilterTestArgs "power" "sleep"
⫽ { timeout = [ 60 ] : Optional Natural, args = [ "15" ] }
)
, performance =
lib.appTest
( lib.emptyFilterTestArgs "performance"
⫽ { timeout = [ 60 ] : Optional Natural }
( lib.emptyFilterTestArgs "performance" "sleep"
⫽ { timeout = [ 60 ] : Optional Natural, args = [ "15" ] }
)
, stream =
apps.stream True
......
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<?xml version="1.0"?>
<qmcsystem>
<wavefunction id="psi0" target="e">
<determinantset name="LCAOBSet" type="MolecularOrbital" transform="yes" source="ion0">
<basisset name="LCAOBSet">
<atomicBasisSet name="Gaussian-G2" angular="cartesian" type="Gaussian" elementType="O" normalized="no">
<grid type="log" ri="1.e-6" rf="1.e2" npts="1001"/>
<!-- Possible substitution O00 by a Slater-type orbital
<basisGroup rid="O00" n="0" l="0" type="Slater">
<radfunc exponent="1.13763" contraction="1.0"/>
</basisGroup>
-->
<basisGroup rid="O00" n="0" l="0" type="Gaussian">
<radfunc exponent="1.253460000000e-01" contraction="5.574095889400e-02"/>
<radfunc exponent="2.680220000000e-01" contraction="3.048477751890e-01"/>
<radfunc exponent="5.730980000000e-01" contraction="4.537516653790e-01"/>
<radfunc exponent="1.225429000000e+00" contraction="2.959257817680e-01"/>
<radfunc exponent="2.620277000000e+00" contraction="1.956698557000e-02"/>
<radfunc exponent="5.602818000000e+00" contraction="-1.286269051440e-01"/>
<radfunc exponent="1.198024500000e+01" contraction="1.202399113300e-02"/>
<radfunc exponent="2.561680100000e+01" contraction="4.069997000000e-04"/>
<radfunc exponent="5.477521600000e+01" contraction="-7.599994400000e-05"/>
</basisGroup>
<basisGroup rid="O10" n="1" l="0" type="Gaussian">
<radfunc exponent="1.686633000000e+00" contraction="1.000000000000e+00"/>
</basisGroup>
<basisGroup rid="O20" n="2" l="0" type="Gaussian">
<radfunc exponent="2.379970000000e-01" contraction="1.000000000000e+00"/>
</basisGroup>
<basisGroup rid="O31" n="3" l="1" type="Gaussian">
<radfunc exponent="8.359800000000e-02" contraction="4.495798060300e-02"/>
<radfunc exponent="1.670170000000e-01" contraction="1.501749352080e-01"/>
<radfunc exponent="3.336730000000e-01" contraction="2.559988895500e-01"/>
<radfunc exponent="6.666270000000e-01" contraction="2.818788783850e-01"/>
<radfunc exponent="1.331816000000e+00" contraction="2.428348952300e-01"/>
<radfunc exponent="2.660761000000e+00" contraction="1.611339304790e-01"/>
<radfunc exponent="5.315785000000e+00" contraction="8.230796448900e-02"/>
<radfunc exponent="1.062010800000e+01" contraction="3.989898278600e-02"/>
<radfunc exponent="2.121731800000e+01" contraction="4.678997981000e-03"/>
</basisGroup>
<basisGroup rid="O41" n="4" l="1" type="Gaussian">
<radfunc exponent="1.846960000000e-01" contraction="1.000000000000e+00"/>
</basisGroup>
<basisGroup rid="O51" n="5" l="1" type="Gaussian">
<radfunc exponent="6.006210000000e-01" contraction="1.000000000000e+00"/>
</basisGroup>
<basisGroup rid="O62" n="6" l="2" type="Gaussian">
<radfunc exponent="6.693400000000e-01" contraction="1.000000000000e+00"/>
</basisGroup>
<basisGroup rid="O72" n="7" l="2" type="Gaussian">
<radfunc exponent="2.404278000000e+00" contraction="1.000000000000e+00"/>
</basisGroup>
<basisGroup rid="O83" n="8" l="3" type="Gaussian">
<radfunc exponent="1.423104000000e+00" contraction="1.000000000000e+00"/>
</basisGroup>
</atomicBasisSet>
<atomicBasisSet name="Gaussian-G2" angular="cartesian" type="Gaussian" elementType="H" normalized="no">
<grid type="log" ri="1.e-6" rf="1.e2" npts="1001"/>
<!-- Possible substitution H00 by a Slater-type orbital
<basisGroup rid="H00" n="0" l="0" type="Slater">
<radfunc exponent="1.47231" contraction="1.0"/>
</basisGroup>
-->
<basisGroup rid="H00" n="0" l="0" type="Gaussian">
<radfunc exponent="8.700887800000e+00" contraction="6.271822462700e-02"/>
<radfunc exponent="1.955520500000e+00" contraction="2.619585423470e-01"/>
<radfunc exponent="5.590436000000e-01" contraction="7.570104581320e-01"/>
</basisGroup>
<basisGroup rid="H10" n="1" l="0" type="Gaussian">
<radfunc exponent="1.649254000000e-01" contraction="1.000000000000e+00"/>
</basisGroup>
<basisGroup rid="H20" n="2" l="0" type="Gaussian">
<radfunc exponent="3.206250000000e-02" contraction="1.000000000000e+00"/>
</basisGroup>
<basisGroup rid="H31" n="3" l="1" type="Gaussian">
<radfunc exponent="7.900744000000e-01" contraction="1.000000000000e+00"/>
</basisGroup>
<basisGroup rid="H41" n="4" l="1" type="Gaussian">
<radfunc exponent="1.523514000000e-01" contraction="1.000000000000e+00"/>
</basisGroup>
<basisGroup rid="H52" n="5" l="2" type="Gaussian">
<radfunc exponent="8.838179000000e-01" contraction="1.000000000000e+00"/>
</basisGroup>
</atomicBasisSet>
</basisset>
<slaterdeterminant>
<determinant id="updet" size="4">
<occupation mode="ground"/>
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