From 3114ad640e22a9e488aeff9235fbe18213b36c0d Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?=E5=88=98=E5=AD=90=E5=AE=89?= <zianliu02@163.com>
Date: Sun, 30 Mar 2025 09:48:04 +0000
Subject: [PATCH] add irvsp config file

---
 templates/irvsp/data.irvsp.arm-920.cpu.config | 85 +++++++++++++++++++
 1 file changed, 85 insertions(+)
 create mode 100644 templates/irvsp/data.irvsp.arm-920.cpu.config

diff --git a/templates/irvsp/data.irvsp.arm-920.cpu.config b/templates/irvsp/data.irvsp.arm-920.cpu.config
new file mode 100644
index 0000000..1e7f002
--- /dev/null
+++ b/templates/irvsp/data.irvsp.arm-920.cpu.config
@@ -0,0 +1,85 @@
+[SERVER]
+11.11.11.11
+
+[DOWNLOAD]
+IRVSP-master https://github.com/zjwang11/IRVSP/archive/refs/heads/master.zip IRVSP-master.zip
+
+[DEPENDENCY]
+module purge
+./jarvis -install bisheng/4.1.0 com
+module use ./software/modulefiles
+module load bisheng/4.1.0
+export CC=clang CXX=clang++ FC=flang
+
+./jarvis -install hmpi/2.4.0 clang
+module use ${JARVIS_ROOT}/software/moduledeps/
+module load bisheng4.1.0/hmpi/2.4.0
+
+./jarvis -install kml/2.4.0/bisheng clang
+module load bisheng4.1.0/kml-bisheng/2.4.0
+
+unzip ${JARVIS_DOWNLOAD}/IRVSP-master.zip
+tar -xzvf ${JARVIS_ROOT}/IRVSP-master/lib_irrep_bcs.tar.gz
+tar -xzvf ${JARVIS_ROOT}/IRVSP-master/src_irvsp_v2.tar.gz
+
+[ENV]
+module purge
+module use ./software/modulefiles
+module load bisheng/4.1.0
+module use ./software/moduledeps/
+module load bisheng4.1.0/kml-bisheng/2.4.0
+
+[APP]
+app_name = ir2tb
+build_dir = ${JARVIS_ROOT}/src_irvsp_v2_release/
+binary_dir = ${JARVIS_ROOT}/src_irvsp_v2_release/bin/
+case_dir =
+
+[BUILD]
+cd ${JARVIS_ROOT}/lib_irrep_bcs
+sed -i '191s/^\(\s*\).*/\1real(dp), parameter :: sqr38 = -dsqrt(0.375d0)/' lib_comms.f90
+sed -i "192a real(dp), parameter :: nsqr58 = -sqr58" lib_comms.f90
+sed -i "198,203s/-sqr38/sqr38/" lib_comms.f90
+sed -i "198,203s/-sqr58/nsqr58/" lib_comms.f90
+sed -i '195s/^\(\s*\).*/\1IF(ikt/=Numk) STOP “ERROR in little groups of k-points”/' lib_bilbao.f90
+sed -i '236s/^\(\s*\).*/\1if(IsGene(ir).eqv..true.) then/' addsign.f90
+sed -i '243s/^\(\s*\).*/\1if (ByGene(irtmp) .eqv. .true.) exit/' addsign.f90
+sed -i '692c rot_mat_tb(1+startorb_j:norb_j+startorb_j, 1+startorb_i:norb_i+startorb_i, litt_group(irot)) = &' irrep_bcs.f90
+sed -i "64s/zsqrt/sqrt/" lib_chrct.f90
+sed -i "7s/^\(\s*\).*/\1F90 = flang/" Makefile
+sed -i "8s/^\(\s*\).*/\1FLAGS = -O3 -ffree-line-length-none -cpp/" Makefile
+make clean
+make
+cd ${JARVIS_ROOT}/src_irvsp_v2_release
+sed -i '395s/^\(\s*\).*/\1IF(ikt/=Numk) STOP "ERROR in little groups of k-points"/' nonsymm.f90
+sed -i '819s/.not. IR/IR /= 0/' nonsymm.f90
+sed -i '820s/ IR/IR == 0/' nonsymm.f90
+sed -i '821s/.not. IR/IR /= 0/' nonsymm.f90
+sed -i '822s/ IR/IR == 0/' nonsymm.f90
+sed -i '171s/==/.eqv./' addsign.f90
+sed -i '178s/==/.eqv./' addsign.f90
+sed -i "37s/zsqrt/sqrt/" chrct.f90
+sed -i '2s/^\(\s*\).*/\1F90 = flang/' Makefile
+sed -i '4s/^\(\s*\).*/\1FLAGS = -O3 -ffree-line-length-none/' Makefile
+sed -i '24s/^\(\s*\).*/\1$(F90) -c $(FLAGS) -cpp -DIRVSPDATA $*.f90/' Makefile
+sed -i '34s/^\(\s*\).*/\1flang -O3 -c $*.f90/' Makefile
+sed -i '38s/^\(\s*\).*/\1$(F90) -c -ffree-form $*.f/' Makefile
+cp ${JARVIS_ROOT}/lib_irrep_bcs/irrep_bcs.a .
+make clean
+make
+
+[CLEAN]
+make clean
+cd ${JARVIS_ROOT}/lib_irrep_bcs
+make clean
+
+[RUN]
+run =
+binary =
+nodes = 1
+
+[PERF]
+perf=
+nsys=
+ncu=
+
-- 
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