-
Notifications
You must be signed in to change notification settings - Fork 363
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
arch: add preliminary arch files for Isambard2 and Fugaku (#1494)
thanks to Danko Georgiev for build-testing on Fugaku
- Loading branch information
Showing
2 changed files
with
110 additions
and
0 deletions.
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,58 @@ | ||
| # arch file for CP2K on Fugaku with the Fujitsu compiler, with minimal dependencies. | ||
| # RIKEN uses Spack to provide libraries. | ||
|
|
||
| FFTW_DIR := $(shell spack location -i fj-fftw) | ||
|
|
||
| CC = mpifccpx | ||
| CXX = mpiFCCpx | ||
| AR = ar -r | ||
| FC = mpifrtpx | ||
| LD = mpifrtpx | ||
| DFLAGS = -D__parallel -D__MPI_VERSION=3 -D__SCALAPACK | ||
| DFLAGS += -D__FFTW3 | ||
| FCFLAGS = -Free -X08 -Kopenmp,SVE $(DFLAGS) | ||
| FCFLAGS += -I$(FFTW_DIR)/include | ||
| CFLAGS = -Kopenmp,SVE $(DFLAGS) | ||
| CXXFLAGS = -Kopenmp,SVE $(DFLAGS) | ||
| LDFLAGS = -SCALAPACK -SSL2 $(FCFLAGS) | ||
|
|
||
| # The libfftw.so provided by fj-fftw is missing the RPATH/RUNPATH to the compilers libfjcrt.so.1, add it explicitly to avoid a warning. | ||
| LIBS += -L$(FFTW_DIR)/lib -lfftw3 -lfftw3_omp -lfjcrt | ||
|
|
||
| # the compiler runs out of memory when optimizing the following: | ||
| mp2_eri.o: mp2_eri.F | ||
| $(TOOLSRC)/build_utils/fypp $(FYPPFLAGS) $< $*.F90 | ||
| $(FC) -c $(FCFLAGS) -O0 -D__SHORT_FILE__="\"$(subst $(SRCDIR)/,,$<)\"" -I'$(dir $<)' $(OBJEXTSINCL) $*.F90 $(FCLOGPIPE) | ||
|
|
||
| # Note: the Fujitsu compiler still has a problem with some INTENT specifications in DBCSR and you may have to apply the following patch: | ||
| # diff --git a/exts/dbcsr/src/dist/dbcsr_dist_methods.F b/exts/dbcsr/src/dist/dbcsr_dist_methods.F | ||
| # index 38a5724e3..a3f242da4 100644 | ||
| # --- a/exts/dbcsr/src/dist/dbcsr_dist_methods.F | ||
| # +++ b/exts/dbcsr/src/dist/dbcsr_dist_methods.F | ||
| # @@ -77,7 +77,7 @@ CONTAINS | ||
| # OPTIONAL :: template | ||
| # INTEGER, INTENT(IN), OPTIONAL :: group | ||
| # INTEGER, DIMENSION(:, :), OPTIONAL, POINTER :: pgrid | ||
| # - INTEGER, DIMENSION(:), INTENT(IN), POINTER, CONTIGUOUS :: row_dist, col_dist | ||
| # + INTEGER, DIMENSION(:), POINTER, CONTIGUOUS :: row_dist, col_dist | ||
| # LOGICAL, INTENT(IN), OPTIONAL :: reuse_arrays | ||
| # | ||
| # TYPE(dbcsr_mp_obj) :: mp_env | ||
| # @@ -116,7 +116,7 @@ CONTAINS | ||
| # !! distribution | ||
| # TYPE(dbcsr_mp_obj), INTENT(IN) :: mp_env | ||
| # !! multiprocessing environment | ||
| # - TYPE(array_i1d_obj), INTENT(IN) :: row_dist_block, col_dist_block | ||
| # + TYPE(array_i1d_obj) :: row_dist_block, col_dist_block | ||
| # TYPE(array_i1d_obj), INTENT(IN), OPTIONAL :: local_rows, local_cols | ||
| # | ||
| # INTEGER, DIMENSION(:), POINTER, CONTIGUOUS :: cont_row_dist, cont_col_dist, & | ||
| # @@ -145,7 +145,7 @@ CONTAINS | ||
| # !! distribution | ||
| # TYPE(dbcsr_mp_obj), INTENT(IN) :: mp_env | ||
| # !! multiprocessing environment | ||
| # - INTEGER, DIMENSION(:), INTENT(IN), POINTER, CONTIGUOUS :: row_dist_block, col_dist_block | ||
| # + INTEGER, DIMENSION(:), POINTER, CONTIGUOUS :: row_dist_block, col_dist_block | ||
| # INTEGER, DIMENSION(:), INTENT(IN), OPTIONAL, & | ||
| # POINTER, CONTIGUOUS :: local_rows, local_cols | ||
| # LOGICAL, OPTIONAL |
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,52 @@ | ||
| # arch file for CP2K on Isambard2 with the Fujitsu compiler, with minimal dependencies. | ||
|
|
||
| CC = mpifcc | ||
| CXX = mpiFCC | ||
| AR = ar -r | ||
| FC = mpifrt | ||
| LD = mpifrt | ||
| DFLAGS = -D__parallel -D__MPI_VERSION=3 -D__SCALAPACK | ||
| #DFLAGS += -D__FFTW3 | ||
| FCFLAGS = -Free -X08 -Kopenmp,SVE $(DFLAGS) | ||
| CFLAGS = -Kopenmp,SVE $(DFLAGS) | ||
| CXXFLAGS = -Kopenmp,SVE $(DFLAGS) | ||
| LDFLAGS = -SCALAPACK -SSL2 $(FCFLAGS) | ||
| #LIBS += -lfftw3 -lfftw3_omp | ||
|
|
||
| # the compiler runs out of memory when optimizing the following: | ||
| mp2_eri.o: mp2_eri.F | ||
| $(TOOLSRC)/build_utils/fypp $(FYPPFLAGS) $< $*.F90 | ||
| $(FC) -c $(FCFLAGS) -O0 -D__SHORT_FILE__="\"$(subst $(SRCDIR)/,,$<)\"" -I'$(dir $<)' $(OBJEXTSINCL) $*.F90 $(FCLOGPIPE) | ||
|
|
||
| # Note: the Fujitsu compiler still has a problem with some INTENT specifications in DBCSR and you may have to apply the following patch: | ||
| # diff --git a/exts/dbcsr/src/dist/dbcsr_dist_methods.F b/exts/dbcsr/src/dist/dbcsr_dist_methods.F | ||
| # index 38a5724e3..a3f242da4 100644 | ||
| # --- a/exts/dbcsr/src/dist/dbcsr_dist_methods.F | ||
| # +++ b/exts/dbcsr/src/dist/dbcsr_dist_methods.F | ||
| # @@ -77,7 +77,7 @@ CONTAINS | ||
| # OPTIONAL :: template | ||
| # INTEGER, INTENT(IN), OPTIONAL :: group | ||
| # INTEGER, DIMENSION(:, :), OPTIONAL, POINTER :: pgrid | ||
| # - INTEGER, DIMENSION(:), INTENT(IN), POINTER, CONTIGUOUS :: row_dist, col_dist | ||
| # + INTEGER, DIMENSION(:), POINTER, CONTIGUOUS :: row_dist, col_dist | ||
| # LOGICAL, INTENT(IN), OPTIONAL :: reuse_arrays | ||
| # | ||
| # TYPE(dbcsr_mp_obj) :: mp_env | ||
| # @@ -116,7 +116,7 @@ CONTAINS | ||
| # !! distribution | ||
| # TYPE(dbcsr_mp_obj), INTENT(IN) :: mp_env | ||
| # !! multiprocessing environment | ||
| # - TYPE(array_i1d_obj), INTENT(IN) :: row_dist_block, col_dist_block | ||
| # + TYPE(array_i1d_obj) :: row_dist_block, col_dist_block | ||
| # TYPE(array_i1d_obj), INTENT(IN), OPTIONAL :: local_rows, local_cols | ||
| # | ||
| # INTEGER, DIMENSION(:), POINTER, CONTIGUOUS :: cont_row_dist, cont_col_dist, & | ||
| # @@ -145,7 +145,7 @@ CONTAINS | ||
| # !! distribution | ||
| # TYPE(dbcsr_mp_obj), INTENT(IN) :: mp_env | ||
| # !! multiprocessing environment | ||
| # - INTEGER, DIMENSION(:), INTENT(IN), POINTER, CONTIGUOUS :: row_dist_block, col_dist_block | ||
| # + INTEGER, DIMENSION(:), POINTER, CONTIGUOUS :: row_dist_block, col_dist_block | ||
| # INTEGER, DIMENSION(:), INTENT(IN), OPTIONAL, & | ||
| # POINTER, CONTIGUOUS :: local_rows, local_cols | ||
| # LOGICAL, OPTIONAL |