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namd, charmpp: patch to allow build with AMD Toolchain support (#20083)

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Co-authored-by: mohan babu <mohbabul@amd.com>
This commit is contained in:
AMD Toolchain Support 2020-12-02 14:16:54 +05:30 committed by GitHub
parent c0bbf5454c
commit 721fdddde4
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GPG key ID: 4AEE18F83AFDEB23
4 changed files with 378 additions and 8 deletions
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188
var/spack/repos/builtin/packages/charmpp/charm_6.7.1_aocc.patch Normal file
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@ -0,0 +1,188 @@
diff -bur charm-6.7.1/src/arch/mpi-linux-x86_64/cc-mpicxx.sh updated-charm-6.7.1/src/arch/mpi-linux-x86_64/cc-mpicxx.sh
--- charm-6.7.1/src/arch/mpi-linux-x86_64/cc-mpicxx.sh 2016-11-07 20:14:26.000000000 +0530
+++ updated-charm-6.7.1/src/arch/mpi-linux-x86_64/cc-mpicxx.sh 2019-08-26 16:55:40.868903291 +0530
@@ -14,7 +14,7 @@
CMK_REAL_COMPILER=`$MPICXX -show 2>/dev/null | cut -d' ' -f1 `
case "$CMK_REAL_COMPILER" in
-g++) CMK_AMD64="-m64 -fPIC" ;;
+clang++) CMK_AMD64="-m64 -fPIC" ;;
icpc) CMK_AMD64="-m64";;
pgCC) CMK_AMD64="-DCMK_FIND_FIRST_OF_PREDICATE=1 --no_using_std " ;;
FCC) CMK_AMD64="-Kfast -DCMK_FIND_FIRST_OF_PREDICATE=1 --variadic_macros";;
diff -bur charm-6.7.1/src/arch/mpi-linux-x86_64/conv-mach-scyld.sh updated-charm-6.7.1/src/arch/mpi-linux-x86_64/conv-mach-scyld.sh
--- charm-6.7.1/src/arch/mpi-linux-x86_64/conv-mach-scyld.sh 2016-11-07 20:14:26.000000000 +0530
+++ updated-charm-6.7.1/src/arch/mpi-linux-x86_64/conv-mach-scyld.sh 2019-08-26 16:55:40.868903291 +0530
@@ -1,14 +1,14 @@
case "$CMK_CC" in
mpicc*)
- CMK_CPP_C="gcc -E "
- CMK_CC="gcc -fPIC"
- CMK_CC_RELIABLE="gcc -fPIC"
- CMK_CC_FASTEST="gcc -fPIC"
- CMK_CXX="g++ -fPIC"
- CMK_CXXPP="gcc -E "
- CMK_LD="gcc"
- CMK_LDXX="g++"
+ CMK_CPP_C="clang -E "
+ CMK_CC="clang -fPIC"
+ CMK_CC_RELIABLE="clang -fPIC"
+ CMK_CC_FASTEST="clang -fPIC"
+ CMK_CXX="clang++ -fPIC"
+ CMK_CXXPP="clang -E "
+ CMK_LD="clang"
+ CMK_LDXX="clang++"
# native compiler for compiling charmxi, etc
CMK_NATIVE_CC="$CMK_CC"
Only in updated-charm-6.7.1/src/arch/mpi-linux-x86_64: conv-mach-scyld.sh.orig
Only in updated-charm-6.7.1/src/arch/mpi-linux-x86_64: conv-mach-scyld.sh.rej
diff -bur charm-6.7.1/src/arch/mpi-linux-x86_64/conv-mach.sh updated-charm-6.7.1/src/arch/mpi-linux-x86_64/conv-mach.sh
--- charm-6.7.1/src/arch/mpi-linux-x86_64/conv-mach.sh 2016-11-07 20:14:26.000000000 +0530
+++ updated-charm-6.7.1/src/arch/mpi-linux-x86_64/conv-mach.sh 2019-08-26 16:55:40.868903291 +0530
@@ -23,7 +23,7 @@
CMK_REAL_COMPILER=`$MPICXX -show 2>/dev/null | cut -d' ' -f1 `
case "$CMK_REAL_COMPILER" in
-g++) CMK_AMD64_CC="$CMK_GCC64"; CMK_AMD64_CXX="$CMK_GCC64" ;;
+clang++) CMK_AMD64_CC="$CMK_GCC64"; CMK_AMD64_CXX="$CMK_GCC64" ;;
pgCC) CMK_AMD64_CC="-fPIC"; CMK_AMD64_CXX="-fPIC -DCMK_FIND_FIRST_OF_PREDICATE=1 --no_using_std " ;;
charmc) echo "Error> charmc can not call AMPI's mpicxx/mpiCC wrapper! Please fix your PATH."; exit 1 ;;
esac
@@ -38,10 +38,10 @@
CMK_LIBS="-lckqt $CMK_SYSLIBS "
CMK_LD_LIBRARY_PATH="-Wl,-rpath,$CHARMLIBSO/"
-CMK_NATIVE_CC="gcc $CMK_GCC64 "
-CMK_NATIVE_LD="gcc $CMK_GCC64 "
-CMK_NATIVE_CXX="g++ $CMK_GCC64 "
-CMK_NATIVE_LDXX="g++ $CMK_GCC64 "
+CMK_NATIVE_CC="clang $CMK_GCC64 "
+CMK_NATIVE_LD="clang $CMK_GCC64 "
+CMK_NATIVE_CXX="clang++ $CMK_GCC64 "
+CMK_NATIVE_LDXX="clang++ $CMK_GCC64 "
CMK_NATIVE_LIBS=""
# fortran compiler
@@ -51,7 +51,7 @@
# CMK_FPP="/lib/cpp -P -CC"
# CMK_CF90="$CMK_CF90 -fpic -fautomatic -fdollar-ok "
# CMK_CF90_FIXED="$CMK_CF90 -ffixed-form "
-# CMK_F90LIBS="-lgfortran "
+# CMK_F90LIBS=" "
# CMK_F90_USE_MODDIR=1
# CMK_F90_MODINC="-I"
# CMK_MOD_NAME_ALLCAPS=
diff -bur charm-6.7.1/src/libs/ck-libs/ckloop/Makefile updated-charm-6.7.1/src/libs/ck-libs/ckloop/Makefile
--- charm-6.7.1/src/libs/ck-libs/ckloop/Makefile 2016-11-07 20:14:28.000000000 +0530
+++ updated-charm-6.7.1/src/libs/ck-libs/ckloop/Makefile 2019-08-26 16:55:40.852903122 +0530
@@ -38,7 +38,7 @@
for i in $(LIBOBJ) ; do \
SRCFILE=`basename $$i .o`.C ; \
echo "checking dependencies for $$i : $$SRCFILE" ; \
- g++ -MM -Wno-deprecated -I$(CDIR)/tmp $$SRCFILE >> $(DEPENDFILE); \
+ clang++ -MM -Wno-deprecated -I$(CDIR)/tmp $$SRCFILE >> $(DEPENDFILE); \
echo ' $$(CHARMC) -I$(CDIR)/tmp -o '$$i $$SRCFILE >> $(DEPENDFILE) ; \
done;
Only in updated-charm-6.7.1/src/libs/ck-libs/ckloop: Makefile.orig
Only in updated-charm-6.7.1/src/libs/ck-libs/ckloop: Makefile.rej
diff -bur charm-6.7.1/src/libs/ck-libs/completion/Makefile updated-charm-6.7.1/src/libs/ck-libs/completion/Makefile
--- charm-6.7.1/src/libs/ck-libs/completion/Makefile 2016-11-07 20:14:28.000000000 +0530
+++ updated-charm-6.7.1/src/libs/ck-libs/completion/Makefile 2019-08-26 16:55:40.852903122 +0530
@@ -45,7 +45,7 @@
for i in $(LIBOBJ) ; do \
SRCFILE=`basename $$i .o`.C ; \
echo "checking dependencies for $$i : $$SRCFILE" ; \
- g++ -MM -Wno-deprecated -I$(CDIR)/tmp $$SRCFILE >> $(DEPENDFILE); \
+ clang++ -MM -Wno-deprecated -I$(CDIR)/tmp $$SRCFILE >> $(DEPENDFILE); \
echo ' $$(CHARMC) -I$(CDIR)/tmp -o '$$i $$SRCFILE >> $(DEPENDFILE) ; \
done;
Only in updated-charm-6.7.1/src/libs/ck-libs/completion: Makefile.orig
Only in updated-charm-6.7.1/src/libs/ck-libs/completion: Makefile.rej
diff -bur charm-6.7.1/src/libs/ck-libs/multicast/Makefile updated-charm-6.7.1/src/libs/ck-libs/multicast/Makefile
--- charm-6.7.1/src/libs/ck-libs/multicast/Makefile 2016-11-07 20:14:29.000000000 +0530
+++ updated-charm-6.7.1/src/libs/ck-libs/multicast/Makefile 2019-08-26 16:55:40.852903122 +0530
@@ -53,7 +53,7 @@
for i in $(LIBOBJ) ; do \
SRCFILE=`basename $$i .o`.C ; \
echo "checking dependencies for $$i : $$SRCFILE" ; \
- g++ -MM -Wno-deprecated -I$(CDIR)/tmp $$SRCFILE >> $(DEPENDFILE); \
+ clang++ -MM -Wno-deprecated -I$(CDIR)/tmp $$SRCFILE >> $(DEPENDFILE); \
echo ' $$(CHARMC) -I$(CDIR)/tmp -o '$$i $$SRCFILE >> $(DEPENDFILE) ; \
done;
Only in updated-charm-6.7.1/src/libs/ck-libs/multicast: Makefile.orig
Only in updated-charm-6.7.1/src/libs/ck-libs/multicast: Makefile.rej
diff -bur charm-6.7.1/src/libs/ck-libs/NDMeshStreamer/Makefile updated-charm-6.7.1/src/libs/ck-libs/NDMeshStreamer/Makefile
--- charm-6.7.1/src/libs/ck-libs/NDMeshStreamer/Makefile 2016-11-07 20:14:27.000000000 +0530
+++ updated-charm-6.7.1/src/libs/ck-libs/NDMeshStreamer/Makefile 2019-08-26 16:55:40.852903122 +0530
@@ -52,7 +52,7 @@
for i in $(LIBOBJ) ; do \
SRCFILE=`basename $$i .o`.C ; \
echo "checking dependencies for $$i : $$SRCFILE" ; \
- g++ -MM -Wno-deprecated -I$(CDIR)/tmp -I../completion $$SRCFILE >> $(DEPENDFILE); \
+ clang++ -MM -Wno-deprecated -I$(CDIR)/tmp -I../completion $$SRCFILE >> $(DEPENDFILE); \
echo ' $$(CHARMC) -I$(CDIR)/tmp -o '$$i $$SRCFILE >> $(DEPENDFILE) ; \
done;
Only in updated-charm-6.7.1/src/libs/ck-libs/NDMeshStreamer: Makefile.orig
Only in updated-charm-6.7.1/src/libs/ck-libs/NDMeshStreamer: Makefile.rej
diff -bur charm-6.7.1/src/QuickThreads/Makefile updated-charm-6.7.1/src/QuickThreads/Makefile
--- charm-6.7.1/src/QuickThreads/Makefile 2016-11-07 20:14:25.000000000 +0530
+++ updated-charm-6.7.1/src/QuickThreads/Makefile 2019-08-26 16:55:40.856903165 +0530
@@ -1,5 +1,5 @@
-CC=gcc -I. -O2
+CC=clang -I. -O2
all: qt stp testpgm
diff -bur charm-6.7.1/src/scripts/Makefile updated-charm-6.7.1/src/scripts/Makefile
--- charm-6.7.1/src/scripts/Makefile 2016-11-07 20:14:29.000000000 +0530
+++ updated-charm-6.7.1/src/scripts/Makefile 2019-08-26 16:55:40.840902996 +0530
@@ -942,7 +942,7 @@
SRCFILE=`basename $$i .o`.C ; \
[ ! -f $$SRCFILE ] && SRCFILE=`basename $$i .o`.c ; \
echo "checking dependencies for $$SRCFILE" ; \
- if g++ -MM -Wno-deprecated -I. -I$(INC) $$SRCFILE >> $(DEPENDFILE); then true ; else echo '' ; echo "Compilation of '$$SRCFILE' failed, please fix it first!!!!" ; exit; fi; \
+ if clang++ -MM -Wno-deprecated -I. -I$(INC) $$SRCFILE >> $(DEPENDFILE); then true ; else echo '' ; echo "Compilation of '$$SRCFILE' failed, please fix it first!!!!" ; exit; fi; \
echo '' >> $(DEPENDFILE) ; \
done; \
@@ -968,7 +968,7 @@
found=`/usr/bin/find $$SRCDIR -depth 1 -name $$SRCFILE`; \
[ ! $$found ] && SRCFILE=`basename $$i .o`.c ; \
echo "checking dependencies for $$SRCFILE" ; \
- if g++ -MM -Wno-deprecated -I. -I$(INC) $$SRCFILE >> $(DEPENDFILE); then true ; else echo '' ; echo "Compilation of '$$SRCFILE' failed, please fix it first!!!!" ; exit; fi; \
+ if clang++ -MM -Wno-deprecated -I. -I$(INC) $$SRCFILE >> $(DEPENDFILE); then true ; else echo '' ; echo "Compilation of '$$SRCFILE' failed, please fix it first!!!!" ; exit; fi; \
echo '' >> $(DEPENDFILE) ; \
done; \
diff -bur charm-6.7.1/tests/charm++/megatest/Makefile updated-charm-6.7.1/tests/charm++/megatest/Makefile
--- charm-6.7.1/tests/charm++/megatest/Makefile 2016-11-07 20:14:30.000000000 +0530
+++ updated-charm-6.7.1/tests/charm++/megatest/Makefile 2019-08-26 16:55:40.820902785 +0530
@@ -118,7 +118,7 @@
for i in $(OBJS) ; do \
SRCFILE=`basename $$i .o`.C ; \
echo "checking dependencies for $$SRCFILE" ; \
- g++ -MM -I$(CHARMINC) $$SRCFILE | \
+ clang++ -MM -I$(CHARMINC) $$SRCFILE | \
perl $(CHARMBIN)/dep.pl $(CHARMINC) /usr/include /usr/local >> $(DEPENDFILE); \
echo ' $$(CHARMC) -o '$$i $$SRCFILE >> $(DEPENDFILE) ; \
done;
--- charm-6.7.1/src/scripts/configure 2016-11-07 20:14:31.000000000 +0530
+++ updated-charm/charm-6.7.1/src/scripts/configure 2020-10-21 12:54:06.476958828 +0530
@@ -2141,8 +2141,8 @@
$as_echo_n "checking \"$1\"... " >&6; }
echo "### $1" >> $charmout
cat $t >> $charmout
- echo $CMK_CXX -I../include -I. $CMK_LIBDIR $CMK_INCDIR $CMK_SYSINC $OPTS_CXX $OPTS_LD -c $t -o test.o $4 >> $charmout
- $CMK_CXX -I../include -I. $CMK_LIBDIR $CMK_INCDIR $CMK_SYSINC $OPTS_CXX $OPTS_LD -c $t -o test.o $4 > out 2>&1
+ echo $CMK_CXX -I../include -I. $CMK_LIBDIR $CMK_INCDIR $CMK_SYSINC $OPTS_CXX $OPTS_LD -Qunused-arguments -c $t -o test.o $4 >> $charmout
+ $CMK_CXX -I../include -I. $CMK_LIBDIR $CMK_INCDIR $CMK_SYSINC $OPTS_CXX $OPTS_LD -Qunused-arguments -c $t -o test.o $4 > out 2>&1
test_result $? "$1" "$2" "$3"
strictpass=$pass
strictfail=$fail

165
var/spack/repos/builtin/packages/charmpp/charm_6.8.2_aocc.patch Normal file
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@ -0,0 +1,165 @@
diff -ruN 00/NAMD_2.13_Source/charm-6.8.2/src/arch/mpi-linux-x86_64/cc-mpicxx.sh 00_aocc-patch/NAMD_2.13_Source/charm-6.8.2/src/arch/mpi-linux-x86_64/cc-mpicxx.sh
--- 00/NAMD_2.13_Source/charm-6.8.2/src/arch/mpi-linux-x86_64/cc-mpicxx.sh 2018-01-11 19:06:19.000000000 -0600
+++ 00_aocc-patch/NAMD_2.13_Source/charm-6.8.2/src/arch/mpi-linux-x86_64/cc-mpicxx.sh 2019-11-12 06:02:23.005454343 -0600
@@ -15,6 +15,7 @@
CMK_REAL_COMPILER=`$MPICXX -show 2>/dev/null | cut -d' ' -f1 `
case "$CMK_REAL_COMPILER" in
g++) CMK_AMD64="-m64 -fPIC" ;;
+clang++) CMK_AMD64="-m64 -fPIC" ;;
icpc) CMK_AMD64="-m64";;
pgCC) CMK_AMD64="-DCMK_FIND_FIRST_OF_PREDICATE=1 --no_using_std " ;;
FCC) CMK_AMD64="-Kfast -DCMK_FIND_FIRST_OF_PREDICATE=1 --variadic_macros";;
diff -ruN 00/NAMD_2.13_Source/charm-6.8.2/src/arch/mpi-linux-x86_64/conv-mach-scyld.sh 00_aocc-patch/NAMD_2.13_Source/charm-6.8.2/src/arch/mpi-linux-x86_64/conv-mach-scyld.sh
--- 00/NAMD_2.13_Source/charm-6.8.2/src/arch/mpi-linux-x86_64/conv-mach-scyld.sh 2018-01-11 19:06:19.000000000 -0600
+++ 00_aocc-patch/NAMD_2.13_Source/charm-6.8.2/src/arch/mpi-linux-x86_64/conv-mach-scyld.sh 2019-11-12 06:05:22.666969636 -0600
@@ -1,13 +1,14 @@
case "$CMK_CC" in
mpicc*)
- CMK_CPP_C="gcc -E "
- CMK_CC="gcc -fPIC"
- CMK_CC_RELIABLE="gcc -fPIC"
- CMK_CC_FASTEST="gcc -fPIC"
- CMK_CXX="g++ -fPIC"
- CMK_LD="gcc"
- CMK_LDXX="g++"
+ CMK_CPP_C="clang -E "
+ CMK_CC="clang -fPIC"
+ CMK_CC_RELIABLE="clang -fPIC"
+ CMK_CC_FASTEST="clang -fPIC"
+ CMK_CXXPP="clang -E "
+ CMK_CXX="clang++ -fPIC"
+ CMK_LD="clang"
+ CMK_LDXX="clang++"
# native compiler for compiling charmxi, etc
CMK_NATIVE_CC="$CMK_CC"
diff -ruN 00/NAMD_2.13_Source/charm-6.8.2/src/arch/mpi-linux-x86_64/conv-mach.sh 00_aocc-patch/NAMD_2.13_Source/charm-6.8.2/src/arch/mpi-linux-x86_64/conv-mach.sh
--- 00/NAMD_2.13_Source/charm-6.8.2/src/arch/mpi-linux-x86_64/conv-mach.sh 2018-01-11 19:06:19.000000000 -0600
+++ 00_aocc-patch/NAMD_2.13_Source/charm-6.8.2/src/arch/mpi-linux-x86_64/conv-mach.sh 2019-11-12 06:07:41.361999246 -0600
@@ -23,6 +23,7 @@
CMK_REAL_COMPILER=`$MPICXX -show 2>/dev/null | cut -d' ' -f1 `
case "$CMK_REAL_COMPILER" in
+clang++) CMK_AMD64_CC="$CMK_GCC64"; CMK_AMD64_CXX="$CMK_GCC64" ;;
g++) CMK_AMD64_CC="$CMK_GCC64"; CMK_AMD64_CXX="$CMK_GCC64" ;;
pgCC) CMK_AMD64_CC='-fPIC'; CMK_AMD64_CXX='-fPIC -DCMK_FIND_FIRST_OF_PREDICATE=1 --no_using_std ' ;;
charmc) echo "Error> charmc can not call AMPI's mpicxx/mpiCC wrapper! Please fix your PATH."; exit 1 ;;
@@ -37,10 +38,10 @@
CMK_LIBS="-lckqt $CMK_SYSLIBS "
CMK_LD_LIBRARY_PATH="-Wl,-rpath,$CHARMLIBSO/"
-CMK_NATIVE_CC="gcc $CMK_GCC64 "
-CMK_NATIVE_LD="gcc $CMK_GCC64 "
-CMK_NATIVE_CXX="g++ $CMK_GCC64 "
-CMK_NATIVE_LDXX="g++ $CMK_GCC64 "
+CMK_NATIVE_CC="clang $CMK_GCC64 "
+CMK_NATIVE_LD="clang $CMK_GCC64 "
+CMK_NATIVE_CXX="clang++ $CMK_GCC64 "
+CMK_NATIVE_LDXX="clang++ $CMK_GCC64 "
CMK_NATIVE_LIBS=''
# fortran compiler
diff -ruN 00/NAMD_2.13_Source/charm-6.8.2/src/libs/ck-libs/ckloop/Makefile 00_aocc-patch/NAMD_2.13_Source/charm-6.8.2/src/libs/ck-libs/ckloop/Makefile
--- 00/NAMD_2.13_Source/charm-6.8.2/src/libs/ck-libs/ckloop/Makefile 2018-01-11 19:06:15.000000000 -0600
+++ 00_aocc-patch/NAMD_2.13_Source/charm-6.8.2/src/libs/ck-libs/ckloop/Makefile 2019-11-12 06:09:16.200438412 -0600
@@ -38,7 +38,7 @@
for i in $(LIBOBJ) ; do \
SRCFILE=`basename $$i .o`.C ; \
echo "checking dependencies for $$i : $$SRCFILE" ; \
- g++ -MM -Wno-deprecated -I$(CDIR)/tmp $$SRCFILE >> $(DEPENDFILE); \
+ clang++ -MM -Wno-deprecated -I$(CDIR)/tmp $$SRCFILE >> $(DEPENDFILE); \
echo ' $$(CHARMC) -I$(CDIR)/tmp -o '$$i $$SRCFILE >> $(DEPENDFILE) ; \
done;
diff -ruN 00/NAMD_2.13_Source/charm-6.8.2/src/libs/ck-libs/completion/Makefile 00_aocc-patch/NAMD_2.13_Source/charm-6.8.2/src/libs/ck-libs/completion/Makefile
--- 00/NAMD_2.13_Source/charm-6.8.2/src/libs/ck-libs/completion/Makefile 2018-01-11 19:06:16.000000000 -0600
+++ 00_aocc-patch/NAMD_2.13_Source/charm-6.8.2/src/libs/ck-libs/completion/Makefile 2019-11-12 06:09:41.247346697 -0600
@@ -45,7 +45,7 @@
for i in $(LIBOBJ) ; do \
SRCFILE=`basename $$i .o`.C ; \
echo "checking dependencies for $$i : $$SRCFILE" ; \
- g++ -MM -Wno-deprecated -I$(CDIR)/tmp $$SRCFILE >> $(DEPENDFILE); \
+ clang++ -MM -Wno-deprecated -I$(CDIR)/tmp $$SRCFILE >> $(DEPENDFILE); \
echo ' $$(CHARMC) -I$(CDIR)/tmp -o '$$i $$SRCFILE >> $(DEPENDFILE) ; \
done;
diff -ruN 00/NAMD_2.13_Source/charm-6.8.2/src/libs/ck-libs/NDMeshStreamer/Makefile 00_aocc-patch/NAMD_2.13_Source/charm-6.8.2/src/libs/ck-libs/NDMeshStreamer/Makefile
--- 00/NAMD_2.13_Source/charm-6.8.2/src/libs/ck-libs/NDMeshStreamer/Makefile 2018-01-11 19:06:15.000000000 -0600
+++ 00_aocc-patch/NAMD_2.13_Source/charm-6.8.2/src/libs/ck-libs/NDMeshStreamer/Makefile 2019-11-12 06:09:59.079993368 -0600
@@ -52,7 +52,7 @@
for i in $(LIBOBJ) ; do \
SRCFILE=`basename $$i .o`.C ; \
echo "checking dependencies for $$i : $$SRCFILE" ; \
- g++ -MM -Wno-deprecated -I$(CDIR)/tmp -I../completion $$SRCFILE >> $(DEPENDFILE); \
+ clang++ -MM -Wno-deprecated -I$(CDIR)/tmp -I../completion $$SRCFILE >> $(DEPENDFILE); \
echo ' $$(CHARMC) -I$(CDIR)/tmp -o '$$i $$SRCFILE >> $(DEPENDFILE) ; \
done;
diff -ruN 00/NAMD_2.13_Source/charm-6.8.2/src/QuickThreads/Makefile 00_aocc-patch/NAMD_2.13_Source/charm-6.8.2/src/QuickThreads/Makefile
--- 00/NAMD_2.13_Source/charm-6.8.2/src/QuickThreads/Makefile 2018-01-11 19:06:13.000000000 -0600
+++ 00_aocc-patch/NAMD_2.13_Source/charm-6.8.2/src/QuickThreads/Makefile 2019-11-12 06:10:37.744395459 -0600
@@ -1,5 +1,5 @@
-CC=gcc -I. -O2
+CC=clang -I. -O2
all: qt stp testpgm
diff -ruN 00/NAMD_2.13_Source/charm-6.8.2/src/scripts/Makefile 00_aocc-patch/NAMD_2.13_Source/charm-6.8.2/src/scripts/Makefile
--- 00/NAMD_2.13_Source/charm-6.8.2/src/scripts/Makefile 2018-01-11 19:06:20.000000000 -0600
+++ 00_aocc-patch/NAMD_2.13_Source/charm-6.8.2/src/scripts/Makefile 2019-11-12 06:10:59.888198461 -0600
@@ -962,7 +962,7 @@
SRCFILE=`basename $$i .o`.C ; \
[ ! -f $$SRCFILE ] && SRCFILE=`basename $$i .o`.c ; \
echo "checking dependencies for $$SRCFILE" ; \
- if g++ -std=c++0x -MM -Wno-deprecated -I. -I$(INC) $$SRCFILE >> $(DEPENDFILE); then true ; else echo '' ; echo "Compilation of '$$SRCFILE' failed, please fix it first!!!!" ; exit; fi; \
+ if clang++ -std=c++0x -MM -Wno-deprecated -I. -I$(INC) $$SRCFILE >> $(DEPENDFILE); then true ; else echo '' ; echo "Compilation of '$$SRCFILE' failed, please fix it first!!!!" ; exit; fi; \
echo '' >> $(DEPENDFILE) ; \
done; \
@@ -988,7 +988,7 @@
found=`/usr/bin/find $$SRCDIR -depth 1 -name $$SRCFILE`; \
[ ! $$found ] && SRCFILE=`basename $$i .o`.c ; \
echo "checking dependencies for $$SRCFILE" ; \
- if g++ -std=c++0x -MM -Wno-deprecated -I. -I$(INC) $$SRCFILE >> $(DEPENDFILE); then true ; else echo '' ; echo "Compilation of '$$SRCFILE' failed, please fix it first!!!!" ; exit; fi; \
+ if clang++ -std=c++0x -MM -Wno-deprecated -I. -I$(INC) $$SRCFILE >> $(DEPENDFILE); then true ; else echo '' ; echo "Compilation of '$$SRCFILE' failed, please fix it first!!!!" ; exit; fi; \
echo '' >> $(DEPENDFILE) ; \
done; \
diff -ruN 00/NAMD_2.13_Source/charm-6.8.2/tests/charm++/megatest/Makefile 00_aocc-patch/NAMD_2.13_Source/charm-6.8.2/tests/charm++/megatest/Makefile
--- 00/NAMD_2.13_Source/charm-6.8.2/tests/charm++/megatest/Makefile 2018-01-11 19:06:18.000000000 -0600
+++ 00_aocc-patch/NAMD_2.13_Source/charm-6.8.2/tests/charm++/megatest/Makefile 2019-11-12 06:11:38.193587531 -0600
@@ -116,7 +116,7 @@
for i in $(OBJS) ; do \
SRCFILE=`basename $$i .o`.C ; \
echo "checking dependencies for $$SRCFILE" ; \
- g++ -std=c++0x -MM -I$(CHARMINC) $$SRCFILE | \
+ clang++ -std=c++0x -MM -I$(CHARMINC) $$SRCFILE | \
perl $(CHARMBIN)/dep.pl $(CHARMINC) /usr/include /usr/local >> $(DEPENDFILE); \
echo ' $$(CHARMC) -o '$$i $$SRCFILE >> $(DEPENDFILE) ; \
done;
--- 00/NAMD_2.13_Source/charm-6.8.2/src/scripts/configure 2018-01-12 06:36:21.000000000 +0530
+++ 00_aocc-patch/NAMD_2.13_Source/charm-6.8.2/src/scripts/configure 2020-10-21 15:01:20.240748316 +0530
@@ -2183,8 +2183,8 @@
$as_echo_n "checking \"$1\"... " >&6; }
echo "### $1" >> $charmout
cat $tc >> $charmout
- echo $CMK_CC -I../include -I. $CMK_LIBDIR $CMK_INCDIR $CMK_SYSINC $OPTS_CC $OPTS_LD -c $tc -o test.o $4 >> $charmout
- $CMK_CC -I../include -I. $CMK_LIBDIR $CMK_INCDIR $CMK_SYSINC $OPTS_CC $OPTS_LD -c $tc -o test.o $4 > out 2>&1
+ echo $CMK_CC -I../include -I. $CMK_LIBDIR $CMK_INCDIR $CMK_SYSINC $OPTS_CC $OPTS_LD -Qunused-arguments -c $tc -o test.o $4 >> $charmout
+ $CMK_CC -I../include -I. $CMK_LIBDIR $CMK_INCDIR $CMK_SYSINC $OPTS_CC $OPTS_LD -Qunused-arguments -c $tc -o test.o $4 > out 2>&1
test_result $? "$1" "$2" "$3"
strictpass=$pass
strictfail=$fail
@@ -2208,8 +2208,8 @@
$as_echo_n "checking \"$1\"... " >&6; }
echo "### $1" >> $charmout
cat $t >> $charmout
- echo $CMK_CXX -I../include -I. $CMK_LIBDIR $CMK_INCDIR $CMK_SYSINC $OPTS_CXX $OPTS_LD -c $t -o test.o $4 >> $charmout
- $CMK_CXX -I../include -I. $CMK_LIBDIR $CMK_INCDIR $CMK_SYSINC $OPTS_CXX $OPTS_LD -c $t -o test.o $4 > out 2>&1
+ echo $CMK_CXX -I../include -I. $CMK_LIBDIR $CMK_INCDIR $CMK_SYSINC $OPTS_CXX $OPTS_LD -Qunused-arguments -c $t -o test.o $4 >> $charmout
+ $CMK_CXX -I../include -I. $CMK_LIBDIR $CMK_INCDIR $CMK_SYSINC $OPTS_CXX $OPTS_LD -Qunused-arguments -c $t -o test.o $4 > out 2>&1
test_result $? "$1" "$2" "$3"
strictpass=$pass
strictfail=$fail

15
var/spack/repos/builtin/packages/charmpp/package.py
View file

@ -43,6 +43,10 @@ class Charmpp(Package):
# Patch is no longer needed in versions 6.8.0+
patch("mpi.patch", when="@:6.7.1")
# Patch for AOCC
patch('charm_6.7.1_aocc.patch', when="@6.7.1 %aocc", level=1)
patch('charm_6.8.2_aocc.patch', when="@6.8.2 %aocc", level=3)
# support Fujitsu compiler
patch("fj.patch", when="%fj")
@ -236,12 +240,15 @@ def install(self, spec, prefix):
# not, then we need to query the compiler vendor from Spack
# here.
options = [
os.path.basename(self.compiler.cc),
os.path.basename(self.compiler.fc),
"-j%d" % make_jobs,
"--destination=%s" % builddir,
os.path.basename(self.compiler.cc)
]
if '@:6.8.2 %aocc' not in spec:
options.append(os.path.basename(self.compiler.fc))
options.append("-j%d" % make_jobs)
options.append("--destination=%s" % builddir)
if "pmi=slurmpmi" in spec:
options.append("slurmpmi")
if "pmi=slurmpmi2" in spec:

18
var/spack/repos/builtin/packages/namd/package.py
View file

@ -26,8 +26,8 @@ class Namd(MakefilePackage):
version('2.13', '9e3323ed856e36e34d5c17a7b0341e38')
version('2.12', '2a1191909b1ab03bf0205971ad4d8ee9')
variant('fftw', default='3', values=('none', '2', '3', 'mkl'),
description='Enable the use of FFTW/FFTW3/MKL FFT')
variant('fftw', default='3', values=('none', '2', '3', 'mkl', 'amdfftw'),
description='Enable the use of FFTW/FFTW3/MKL FFT/AMDFFTW')
variant('interface', default='none', values=('none', 'tcl', 'python'),
description='Enables TCL and/or python interface')
@ -45,6 +45,8 @@ class Namd(MakefilePackage):
depends_on('fftw@:2.99', when="fftw=2")
depends_on('fftw@3:', when="fftw=3")
depends_on('amdfftw', when="fftw=amdfftw")
depends_on('intel-mkl', when="fftw=mkl")
depends_on('tcl', when='interface=tcl')
@ -97,12 +99,16 @@ def _edit_arch_generic(self, spec, prefix):
optims_opts = {
'gcc': m64 + '-O3 -fexpensive-optimizations \
-ffast-math -lpthread ' + archopt,
'intel': '-O2 -ip -qopenmp-simd' + archopt}
'intel': '-O2 -ip -qopenmp-simd' + archopt,
'aocc': m64 + '-O3 -ffp-contract=fast -ffast-math \
-fopenmp ' + archopt}
else:
optims_opts = {
'gcc': m64 + '-O3 -fexpensive-optimizations \
-ffast-math ' + archopt,
'intel': '-O2 -ip ' + archopt}
'intel': '-O2 -ip ' + archopt,
'aocc': m64 + '-O3 -ffp-contract=fast \
-ffast-math ' + archopt}
optim_opts = optims_opts[self.compiler.name] \
if self.compiler.name in optims_opts else ''
@ -187,6 +193,10 @@ def edit(self, spec, prefix):
opts.append('--without-fftw')
elif fftw_version == 'mkl':
self._append_option(opts, 'mkl')
elif fftw_version == 'amdfftw':
self._copy_arch_file('fftw3')
opts.extend(['--with-fftw3',
'--fftw-prefix', spec['amdfftw'].prefix])
else:
_fftw = 'fftw{0}'.format('' if fftw_version == '2' else '3')