[CP2K-user] [CP2K:15295] Compiling error: identifier undefined
Krack Matthias (PSI)
matthi... at psi.ch
Tue May 4 14:21:56 UTC 2021
Hello MEF
I seems that you have the same issue as discussed here<https://groups.google.com/g/cp2k/c/Vh1abbGJlkk/m/77ZWN6cLCwAJ> and solved here<https://groups.google.com/g/cp2k/c/Vh1abbGJlkk/m/ewuTayBgAQAJ>.
HTH
Matthias
Von: cp... at googlegroups.com <cp... at googlegroups.com> Im Auftrag von MEF
Gesendet: Dienstag, 4. Mai 2021 16:10
An: cp2k <cp... at googlegroups.com>
Betreff: [CP2K:15295] Compiling error: identifier undefined
Hi,
I'm having a hard time compiling CP2K (using master but also tried 8.1); I have tried multiply versions of intel compilers (also tried openmpi) but keep having the same problem. If anyone has any ideas, please let me know.
Not sure if this is helpful, but I saw a similar error with another program when it was trying to use fftw instead of fftw3. I tried removing the D__FFTW3 flag but same error; I also tried removing just about all of the flags.
I'm starting with a very simple build (Linux-x86-64-intel-minimal):
CC = mpiicc
FC = mpiifort
LD = mpiifort
AR = ar -r
MKLROOT=/opt/intel/19.1/mkl
CFLAGS = -O2 -fno-inline -fopenmp -fp-model precise -funroll-loops -g -qopenmp-simd -traceback -xHost
DFLAGS = -D__FFTW3
DFLAGS += -D__MAX_CONTR=4
DFLAGS += -D__MKL
DFLAGS += -D__MPI_VERSION=3
DFLAGS += -D__parallel
DFLAGS += -D__SCALAPACK
FCFLAGS = $(CFLAGS) $(DFLAGS)
FCFLAGS += -diag-disable=8291
FCFLAGS += -diag-disable=8293
FCFLAGS += -fpp
FCFLAGS += -free
FCFLAGS += -I$(MKLROOT)/include
FCFLAGS += -I$(MKLROOT)/include/fftw
LDFLAGS = $(FCFLAGS) -static-intel -static_mpi
LDFLAGS_C = -nofor-main
MKL_LIB = $(MKLROOT)/lib/intel64
LIBS = $(MKL_LIB)/libmkl_scalapack_lp64.a
LIBS += -Wl,--start-group
LIBS += $(MKL_LIB)/libmkl_intel_lp64.a
LIBS += $(MKL_LIB)/libmkl_sequential.a
LIBS += $(MKL_LIB)/libmkl_core.a
LIBS += $(MKL_LIB)/libmkl_blacs_intelmpi_lp64.a
LIBS += -Wl,--end-group
# Required due to memory leak that occurs if high optimisations are used
mp2_optimize_ri_basis.o: mp2_optimize_ri_basis.F
$(FC) -c $(subst O2,O0,$(FCFLAGS)) $<
Error:
/projects/cp2k/tools/build_utils/fypp -n /projects/cp2k/src/pw/cube_utils.F cube_utils.F90
mpiifort -c -O2 -fno-inline -fopenmp -fp-model precise -funroll-loops -g -qopenmp-simd -traceback -xHost -D__FFTW3 -D__MAX_CONTR=4 -D__MKL -D__MPI_VERSION=3 -D__parallel -D__SCALAPACK -diag-disable=8291 -diag-disable=8293 -fpp -free -I/opt/intel/19.1/mkl/include -I/opt/intel/19.1/mkl/include/fftw -D__COMPILE_ARCH="\"Linux-x86-64-intel-minimal\"" -D__COMPILE_DATE="\"Tue May 4 07:52:35 MDT 2021\"" -D__COMPILE_HOST="\"manzano-login3\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/projects/cp2k/data\"" -D__SHORT_FILE__="\"pw/cube_utils.F\"" -I'/projects/cp2k/src/pw/' -I'/projects/cp2k/obj/Linux-x86-64-intel-minimal/psmp/exts/dbcsr' cube_utils.F90
/projects/cp2k/tools/build_utils/fypp -n /projects/cp2k/src/grid/grid_api.F grid_api.F90
mpiifort -c -O2 -fno-inline -fopenmp -fp-model precise -funroll-loops -g -qopenmp-simd -traceback -xHost -D__FFTW3 -D__MAX_CONTR=4 -D__MKL -D__MPI_VERSION=3 -D__parallel -D__SCALAPACK -diag-disable=8291 -diag-disable=8293 -fpp -free -I/opt/intel/19.1/mkl/include -I/opt/intel/19.1/mkl/include/fftw -D__COMPILE_ARCH="\"Linux-x86-64-intel-minimal\"" -D__COMPILE_DATE="\"Tue May 4 07:52:35 MDT 2021\"" -D__COMPILE_HOST="\"manzano-login3\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/projects/cp2k/data\"" -D__SHORT_FILE__="\"grid/grid_api.F\"" -I'/projects/cp2k/src/grid/' -I'/projects/cp2k/obj/Linux-x86-64-intel-minimal/psmp/exts/dbcsr' grid_api.F90
mpiicc -c -O2 -fno-inline -fopenmp -fp-model precise -funroll-loops -g -qopenmp-simd -traceback -xHost /projects/cp2k/src/grid/grid_replay.c
/projects/cp2k/src/grid/grid_replay.c(107): error: expected an expression
for (int i = 0; i < 3; i++) {
^
/projects/cp2k/src/grid/grid_replay.c(107): error: identifier "i" is undefined
for (int i = 0; i < 3; i++) {
^
/projects/cp2k/src/grid/grid_replay.c(122): error: expected an expression
for (int i = 0; i < size; i++) {
^
/projects/cp2k/src/grid/grid_replay.c(122): error: identifier "i" is undefined
for (int i = 0; i < size; i++) {
^
/projects/cp2k/src/grid/grid_replay.c(123): error: expected an expression
for (int j = 0; j < size; j++) {
^
/projects/cp2k/src/grid/grid_replay.c(123): error: identifier "j" is undefined
for (int j = 0; j < size; j++) {
^
/projects/cp2k/src/grid/grid_replay.c(135): error: expected an expression
for (int i = 0; i < npgf; i++) {
^
/projects/cp2k/src/grid/grid_replay.c(188): error: expected an expression
for (int i = 0; i < cycles; i++) {
^
/projects/cp2k/src/grid/grid_replay.c(188): error: identifier "i" is undefined
for (int i = 0; i < cycles; i++) {
^
/projects/cp2k/src/grid/grid_replay.c(279): error: expected an expression
for (int i = 0; i < n2; i++) {
^
/projects/cp2k/src/grid/grid_replay.c(279): error: identifier "i" is undefined
for (int i = 0; i < n2; i++) {
^
/projects/cp2k/src/grid/grid_replay.c(280): error: expected an expression
for (int j = 0; j < n1; j++) {
^
/projects/cp2k/src/grid/grid_replay.c(280): error: identifier "j" is undefined
for (int j = 0; j < n1; j++) {
^
/projects/cp2k/src/grid/grid_replay.c(293): error: expected an expression
for (int n = 0; n < ngrid_nonzero; n++) {
^
/projects/cp2k/src/grid/grid_replay.c(293): error: identifier "n" is undefined
for (int n = 0; n < ngrid_nonzero; n++) {
^
/projects/cp2k/src/grid/grid_replay.c(303): error: expected an expression
for (int i = o2; i < ncoset(lb_max) + o2; i++) {
^
/projects/cp2k/src/grid/grid_replay.c(304): error: expected an expression
for (int j = o1; j < ncoset(la_max) + o1; j++) {
^
/projects/cp2k/src/grid/grid_replay.c(304): error: identifier "j" is undefined
for (int j = o1; j < ncoset(la_max) + o1; j++) {
^
/projects/cp2k/src/grid/grid_replay.c(347): error: expected an expression
for (int i = 0; i < n1; i++) {
^
/projects/cp2k/src/grid/grid_replay.c(348): error: expected an expression
for (int j = 0; j < n2; j++) {
^
/projects/cp2k/src/grid/grid_replay.c(348): error: identifier "j" is undefined
for (int j = 0; j < n2; j++) {
^
/projects/cp2k/src/grid/grid_replay.c(366): error: expected an expression
for (int i = 0; i < n2; i++) {
^
/projects/cp2k/src/grid/grid_replay.c(367): error: expected an expression
for (int j = 0; j < n1; j++) {
^
/projects/cp2k/src/grid/grid_replay.c(367): error: identifier "j" is undefined
for (int j = 0; j < n1; j++) {
^
/projects/cp2k/src/grid/grid_replay.c(383): error: expected an expression
for (int i = 0; i < cycles; i++) {
^
/projects/cp2k/src/grid/grid_replay.c(395): error: expected an expression
for (int i = 0; i < cycles; i++) {
^
/projects/cp2k/src/grid/grid_replay.c(403): error: expected an expression
for (int i = 0; i < 3; i++) {
^
/projects/cp2k/src/grid/grid_replay.c(404): error: expected an expression
for (int j = 0; j < 3; j++) {
^
/projects/cp2k/src/grid/grid_replay.c(404): error: identifier "j" is undefined
for (int j = 0; j < 3; j++) {
^
/projects/cp2k/src/grid/grid_replay.c(419): error: expected an expression
for (int i = 0; i < npts_local_total; i++) {
^
/projects/cp2k/src/grid/grid_replay.c(430): error: expected an expression
for (int i = 0; i < n2; i++) {
^
/projects/cp2k/src/grid/grid_replay.c(431): error: expected an expression
for (int j = 0; j < n1; j++) {
^
/projects/cp2k/src/grid/grid_replay.c(431): error: identifier "j" is undefined
for (int j = 0; j < n1; j++) {
^
/projects/cp2k/src/grid/grid_replay.c(446): error: expected an expression
for (int i = 0; i < 2; i++) {
^
/projects/cp2k/src/grid/grid_replay.c(447): error: expected an expression
for (int j = 0; j < 3; j++) {
^
/projects/cp2k/src/grid/grid_replay.c(447): error: identifier "j" is undefined
for (int j = 0; j < 3; j++) {
^
/projects/cp2k/src/grid/grid_replay.c(457): error: expected an expression
for (int i = 0; i < 3; i++) {
^
/projects/cp2k/src/grid/grid_replay.c(458): error: expected an expression
for (int j = 0; j < 3; j++) {
^
/projects/cp2k/src/grid/grid_replay.c(458): error: identifier "j" is undefined
for (int j = 0; j < 3; j++) {
^
compilation aborted for /projects/cp2k/src/grid/grid_replay.c (code 2)
make[3]: *** [grid_replay.o] Error 2
make[2]: *** [all] Error 2
make[1]: *** [psmp] Error 2
make: *** [all] Error 2
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