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update samples of QMC in finite_temperature_calculations
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@k-yoshimi
k-yoshimi committed Dec 16, 2024
1 parent 359a18c commit aa6c161
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Showing 38 changed files with 4,847 additions and 725 deletions.
329 changes: 329 additions & 0 deletions sample/03_finite_temperature/QMC/algorithm.xml
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<?xml version="1.0" encoding="UTF-8"?>
<Algorithm>
<Comment> S=1/2 XXZ model </Comment>
<General>
<NSTYPE> 1 </NSTYPE>
<NITYPE> 1 </NITYPE>
<NVTYPE> 2 </NVTYPE>
<NXMAX> 2 </NXMAX>
<WDIAG> 0.250000000000000 </WDIAG>
</General>

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</Algorithm>
8 changes: 4 additions & 4 deletions sample/03_finite_temperature/QMC/common_param.in
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Original file line number Diff line number Diff line change
Expand Up @@ -3,11 +3,11 @@ cfoutfile = cf.dat
ckoutfile = ck.dat
dispfile =
latfile = lattice.xml
ndecor = 100
nmcs = 1000
npre = 100
ndecor = 1000
nmcs = 5000
npre = 1000
nsegmax = 1000000
nset = 1
nset = 4
ntau = 10
ntherm = 1000
nvermax = 1000000
Expand Down
14 changes: 14 additions & 0 deletions sample/03_finite_temperature/QMC/dsqss.sh
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@@ -0,0 +1,14 @@
#!/bin/sh

#SBATCH -p F1cpu
#SBATCH -N 1
#SBATCH -n 4
#SBATCH -c 32
#SBATCH -t 03:00:00

set -e

source /home/issp/materiapps/oneapi_compiler_classic-2023.0.0--openmpi-4.1.5/dsqss/dsqssvars.sh
module list

sh exec.sh
14 changes: 14 additions & 0 deletions sample/03_finite_temperature/QMC/dsqss_middle.sh
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@@ -0,0 +1,14 @@
#!/bin/sh

#SBATCH -p i8cpu
#SBATCH -N 1
#SBATCH -n 4
#SBATCH -c 32
#SBATCH -t 00:30:00

set -e

source /home/issp/materiapps/oneapi_compiler_classic-2023.0.0--openmpi-4.1.5/dsqss/dsqssvars.sh
module list

sh exec_middle.sh
14 changes: 14 additions & 0 deletions sample/03_finite_temperature/QMC/dsqss_strong.sh
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@@ -0,0 +1,14 @@
#!/bin/sh

#SBATCH -p i8cpu
#SBATCH -N 1
#SBATCH -n 4
#SBATCH -c 32
#SBATCH -t 00:30:00

set -e

source /home/issp/materiapps/oneapi_compiler_classic-2023.0.0--openmpi-4.1.5/dsqss/dsqssvars.sh
module list

sh exec_strong.sh
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