delete useless sum_xxx codes in integrate/tools

Author: mohanchen

tests/integrate/312_NO_GO_get_wf/result.ref

@@ -1,5 +1,9 @@
-BAND1_GAMMA_SPIN1_ENV.cube 1.06417
-BAND2_GAMMA_SPIN1_ENV.cube 1.0719
-BAND3_GAMMA_SPIN1_ENV.cube 1.06891
-BAND4_GAMMA_SPIN1_ENV.cube 1.06869
-totaltimeref 0.16356
+wf1s1.cube 1.063865347
+wf1s2.cube 1.063865347
+wf2s1.cube 1.067613307
+wf2s2.cube 1.067613308
+wf3s1.cube 1.067439633
+wf3s2.cube 1.067439633
+wf4s1.cube 1.064460607
+wf4s2.cube 1.064460607
+totaltimeref 0.37

tests/integrate/CMakeLists.txt

@@ -13,19 +13,10 @@ else()
         COMMAND ${BASH} Autotest.sh -a ${ABACUS_BIN_PATH} -n 4
         WORKING_DIRECTORY ${ABACUS_TEST_DIR}/integrate
     )
-    add_executable(sum_ENV_H2 ${ABACUS_TEST_DIR}/integrate/tools/sum_ENV_H2.cpp)
-    install(TARGETS sum_ENV_H2 DESTINATION ${ABACUS_TEST_DIR}/integrate/tools/)
-    add_executable(sum_ENV_H2_cube ${ABACUS_TEST_DIR}/integrate/tools/sum_ENV_H2_cube.cpp)
-    install(TARGETS sum_ENV_H2_cube DESTINATION ${ABACUS_TEST_DIR}/integrate/tools/)
-    add_executable(sum_BAND_CHG_H2 ${ABACUS_TEST_DIR}/integrate/tools/sum_BAND_CHG_H2.cpp)
-    install(TARGETS sum_BAND_CHG_H2 DESTINATION ${ABACUS_TEST_DIR}/integrate/tools/)
-    add_executable(sum_BAND_CHG_H2_cube ${ABACUS_TEST_DIR}/integrate/tools/sum_BAND_CHG_H2_cube.cpp)
-    install(TARGETS sum_BAND_CHG_H2_cube DESTINATION ${ABACUS_TEST_DIR}/integrate/tools/)
+    add_executable(sum_cube.exe ${ABACUS_TEST_DIR}/integrate/tools/sum_cube.cpp)
+    install(TARGETS sum_cube.exe DESTINATION ${ABACUS_TEST_DIR}/integrate/tools/)
 
     if(ENABLE_COVERAGE)
-      add_coverage(sum_ENV_H2)
-      add_coverage(sum_ENV_H2_cube)
-      add_coverage(sum_BAND_CHG_H2)
-      add_coverage(sum_BAND_CHG_H2_cube)
+      add_coverage(sum_cube.exe)
     endif()
 endif()

tests/integrate/tools/catch_properties.sh

@@ -34,7 +34,8 @@ file=$1
 calculation=`grep calculation INPUT | grep -v '^#' | awk '{print $2}' | sed s/[[:space:]]//g`
 
 running_path=`echo "OUT.autotest/running_$calculation"".log"`
-echo $running_path
+#echo $running_path
+
 natom=`grep -En '(^|[[:space:]])TOTAL ATOM NUMBER($|[[:space:]])' $running_path | tail -1 | awk '{print $6}'`
 has_force=$(get_input_key_value "cal_force" "INPUT")
 has_stress=$(get_input_key_value "cal_stress" "INPUT")
@@ -92,7 +93,10 @@ if [ $calculation != "get_wf" ]\
 && [ $calculation != "get_pchg" ] && [ $calculation != "get_S" ]\
 && [ $is_lr == 0 ]; then
 	etot=$(grep "ETOT_" "$running_path" | tail -1 | awk '{print $2}')
+    #echo "etot = $etot"
 	etotperatom=`awk 'BEGIN {x='$etot';y='$natom';printf "%.10f\n",x/y}'`
+    #echo "etotperatom = $etotperatom"
+    # put the results in file
 	echo "etotref $etot" >>$1
 	echo "etotperatomref $etotperatom" >>$1
 fi
@@ -495,14 +499,14 @@ fi
 if [ $calculation == "get_wf" ]; then
 	nfile=0
 	cubefiles=`ls OUT.autotest/ | grep -E '.cube$'`
-    #echo "The cube file is $cubefiles"
+    #echo "The cube files are $cubefiles"
 	if test -z "$cubefiles"; then
 		echo "Can't find $cubefiles files"
 		exit 1
 	else
 		for cube in $cubefiles;
 		do
-			total_chg=`../tools/sum_ENV_H2_cube OUT.autotest/$cube`
+			total_chg=`../tools/sum_cube.exe OUT.autotest/$cube`
 			echo "$cube $total_chg" >>$1
 		done
 	fi
@@ -534,7 +538,7 @@ if [ $calculation == "get_pchg" ]; then
 	else
 		for cube in $cubefiles;
 		do
-			total_chg=`../tools/sum_BAND_CHG_H2_cube OUT.autotest/$cube`
+			total_chg=`../tools/sum_cube.exe OUT.autotest/$cube`
 			echo "$cube $total_chg" >>$1
 		done
 	fi

tests/integrate/tools/run_check.sh

@@ -8,10 +8,13 @@ check_out(){
 	for word in $worddir; do
         # serach result.out and get information
 		cal=`grep "$word" $outfile | awk '{printf "%.'$CA'f\n",$2}'`
+        # echo "cal = $cal"
         # search result.ref and get information
 		ref=`grep "$word" result.ref | awk '{printf "%.'$CA'f\n",$2}'`
+        # echo "ref = $ref"
         # compute the error between 'cal' and 'ref'
 		error=`awk 'BEGIN {x='$ref';y='$cal';printf "%.'$CA'f\n",x-y}'`
+        # echo "error = $error"
         # compare the total time
 		if [ $word == "totaltimeref" ]; then		
 			echo "$word this-test: $cal ref-1core-test: $ref"

tests/integrate/tools/sum_BAND_CHG_H2.cpp

@@ -18,6 +18,10 @@ int main(int argc, char **argv)
 		cout << "Can't find " << input_file << " !" << endl;
 		return 1;
 	}
+    else
+    {
+//        cout << "Find the " << input_file << endl;
+    }
 
 	int nx = 0;
 	int ny = 0;
@@ -50,10 +54,7 @@ int main(int argc, char **argv)
 	double ne = 0.0;
 
 	ne = sum * mx * my * mz;
-	//std::cout<<nx<<"--"<<ny<<"--"<<nz<<std::endl;
-	//std::cout<<" sum = "<<sum<< " ne = "<<ne<<std::endl;
-	std::cout<<ne<<std::endl;
-
+	std::cout<<setprecision(10)<<ne<<std::endl;
 
 	return 0;
 }