Merge pull request #57 from issp-center-dev/update_stdface

Update StdFace
issp-center-dev · Oct 1, 2024 · 481333a · 481333a
2 parents 5f0d9a2 + efecacf
commit 481333a
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Showing 6 changed files with 31 additions and 21 deletions.
diff --git a/CMakeLists.txt b/CMakeLists.txt
@@ -111,23 +111,33 @@ endif()
 
 # git submodule update
 # ref: https://cliutils.gitlab.io/modern-cmake/chapters/projects/submodule.html
-set(MVMC ON) # Option for upstream StdFace.
+option(MVMC "build mvmc" ON) # Option for upstream StdFace.
+option(TestStdFace "run test for StdFace" OFF)
 find_package(Git QUIET)
-set(STDFACE_DIR "${CMAKE_CURRENT_SOURCE_DIR}/src/StdFace")
-if(GIT_FOUND AND EXISTS "${CMAKE_CURRENT_SOURCE_DIR}/.git")
-  # Update submodules as needed
-  if(GIT_SUBMODULE_UPDATE)
-    message(STATUS "Submodule update")
-    execute_process(COMMAND ${GIT_EXECUTABLE} submodule update --init --recursive
-      WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}
-      RESULT_VARIABLE GIT_SUBMOD_RESULT)
-    if(NOT GIT_SUBMOD_RESULT EQUAL "0")
-      message(FATAL_ERROR "git submodule update --init failed with ${GIT_SUBMOD_RESULT}, please checkout submodules")
+
+if(NOT STDFACE_DIR)
+  set(STDFACE_DIR "${CMAKE_CURRENT_SOURCE_DIR}/src/StdFace")
+  if(GIT_FOUND AND EXISTS "${CMAKE_CURRENT_SOURCE_DIR}/.git")
+    # Update submodules as needed
+    if(GIT_SUBMODULE_UPDATE)
+      message(STATUS "Submodule update")
+      execute_process(COMMAND ${GIT_EXECUTABLE} submodule update --init --recursive
+        WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}
+        RESULT_VARIABLE GIT_SUBMOD_RESULT)
+      if(NOT GIT_SUBMOD_RESULT EQUAL "0")
+        message(FATAL_ERROR "git submodule update --init failed with ${GIT_SUBMOD_RESULT}, please checkout submodules")
+      endif()
     endif()
-  endif()
 
+    if(NOT EXISTS "${STDFACE_DIR}/CMakeLists.txt")
+      message(FATAL_ERROR "The submodule StdFace were not downloaded! GIT_SUBMODULE_UPDATE was turned off or failed. Please update submodules and try again.")
+    endif()
+  endif()
+else()
   if(NOT EXISTS "${STDFACE_DIR}/CMakeLists.txt")
-    message(FATAL_ERROR "The submodule StdFace were not downloaded! GIT_SUBMODULE_UPDATE was turned off or failed. Please update submodules and try again.")
+    message(FATAL_ERROR "STDFACE_DIR is manually set to ${STDFACE_DIR}, but ${STDFACE_DIR}/CMakeLists.txt does not exists")
+  else()
+    message(STATUS "STDFACE_DIR is manually set to ${STDFACE_DIR}.")
   endif()
 endif()
 add_subdirectory("${STDFACE_DIR}")

diff --git a/src/StdFace b/src/StdFace
diff --git a/src/mVMC/CMakeLists.txt b/src/mVMC/CMakeLists.txt
@@ -23,9 +23,9 @@ set(SOURCES_sfmt
 link_directories(${CMAKE_CURRENT_SOURCE_DIR}/../pfapack)
 
 add_executable(vmcdry.out vmcdry.c)
-target_link_libraries(vmcdry.out StdFace m)
+target_link_libraries(vmcdry.out StdFace_mvmc m)
 add_executable(vmc.out ${SOURCES_vmcmain} ${SOURCES_sfmt})
-target_link_libraries(vmc.out StdFace)
+target_link_libraries(vmc.out StdFace_mvmc m)
 target_link_libraries(vmc.out pfapack)
 target_link_libraries(vmc.out ltl2inv)
 if(PFAFFIAN_BLOCKED)

diff --git a/src/mVMC/vmcdry.c b/src/mVMC/vmcdry.c
@@ -29,7 +29,7 @@ void StdFace_main(char *fname);
 int main(int argc, char *argv[])
 {
   if (argc == 1){
-    printf("Usage: %s StdFace.def\n");
+    printf("Usage: %s StdFace.def\n", argv[0]);
     return 1;
   }
 

diff --git a/test/python/data/HeisenbergChain_fsz/StdFace.def b/test/python/data/HeisenbergChain_fsz/StdFace.def
@@ -5,8 +5,8 @@ lattice = "chain"
 J = 1.0
 h = -0.5
 Gamma = 0.6
-NSROptItrStep = 1000
-NVMCSample    = 500
+NSROptItrStep = 5000
+NVMCSample    = 200
 DSROptRedCut  = 1e-8
 DSROptStaDel  = 1e-2
 DSROptStepDt  = 3e-3

diff --git a/test/python/data/HeisenbergChain_fsz_mpi/StdFace.def b/test/python/data/HeisenbergChain_fsz_mpi/StdFace.def
@@ -5,8 +5,8 @@ lattice = "chain"
 J = 1.0
 h = -0.5
 Gamma = 0.6
-NSROptItrStep = 1000
-NVMCSample    = 500
+NSROptItrStep = 5000
+NVMCSample    = 200
 DSROptRedCut  = 1e-8
 DSROptStaDel  = 1e-2
 DSROptStepDt  = 3e-3