Add Hubbard-Sz-unconserved test to check sz-OpenMP feature.

test/CMakeLists.txt

@@ -68,6 +68,10 @@ add_test(
   NAME lobcg_hubbard_square
   COMMAND ${CMAKE_SOURCE_DIR}/test/lobcg_hubbard_square.sh
 )
+add_test(
+  NAME lobcg_hubbard_szunconserv
+  COMMAND ${CMAKE_SOURCE_DIR}/test/lobcg_hubbard_szunconserv.sh
+)
 add_test(
   NAME lobcg_kondo_chain
   COMMAND ${CMAKE_SOURCE_DIR}/test/lobcg_kondo_chain.sh

test/lobcg_hubbard_szunconserv.sh

@@ -0,0 +1,44 @@
+#!/bin/sh -e
+
+mkdir -p lobcg_hubbard_szconserv/
+cd lobcg_hubbard_szconserv
+
+cat > stan.in <<EOF
+W = 4
+L = 2
+model = "FermionHubbard"
+method = "CG"
+lattice = "Tetragonal"
+t = 1.0
+U = 4.0
+nelec = 8
+exct = 3
+h = 2.0
+Gamma = 1.0
+EOF
+
+${MPIRUN} ../../src/HPhi -s stan.in
+
+# Check value
+
+cat > reference.dat <<EOF
+ 0
+    -12.0689666528263331
+    1.1830984216584166
+    0.8944271910345338
+
+ 1
+    -12.0188079575967599
+    0.8548755838399427
+    1.7888543820161609
+
+ 2
+    -11.7934541620331608
+    0.9348617586588275
+    1.7888543739897627
+EOF
+paste output/zvo_energy.dat reference.dat > paste.dat
+diff=`awk 'BEGIN{diff=0.0} {diff+=sqrt(($2-$3)*($2-$3))} END{printf "%8.6f", diff}' paste.dat`
+test "${diff}" = "0.000000"
+
+exit $?