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.
CFLAGS = -O2 -fno-inline -fopenmp -fp-model precise -funroll-loops -g -qopenmp-simd -traceback -xHost
/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