Updated config files

config/bull.cfg

@@ -6,7 +6,7 @@
 # --align=32                 : Align all provided arrays on a 32-byte boundary
 #
 [COMMON]
-FC           : mpiifort -shared-libgcc -shared-intel -fpic
+FC           : mpiifort -fpic -xCORE-AVX2 
 LAPACK_LIB   : -mkl=parallel 
 IRPF90       : irpf90
 IRPF90_FLAGS : --ninja --align=32 -DMPI  
@@ -31,7 +31,7 @@ OPENMP  : 1          ; Append OpenMP flags
 # -ftz                       : Flushes denormal results to zero
 #
 [OPT]
-FCFLAGS  : -xCORE-AVX2 -O2 -ip -ftz -g -traceback -qopt-prefetch=5 -qopt-prefetch-issue-excl-hint -unroll-aggressive 
+FCFLAGS  : -O2 -ip -ftz -g -traceback -qopt-prefetch=5 -qopt-prefetch-issue-excl-hint -unroll-aggressive 
 # Profiling flags
 #################
 #

config/cray_gfortran.cfg

@@ -0,0 +1,68 @@
+# On LUMI
+# 
+# export SPACK_USER_PREFIX=$HOME/spack
+# module swap PrgEnv-cray/8.3.3 PrgEnv-gnu/8.3.3
+# module load spack/22.08
+# module load openblas/0.3.17-gcc-omp-xi
+# Common flags
+##############
+#
+# -ffree-line-length-none : Needed for IRPF90 which produces long lines
+# -lblas -llapack         : Link with libblas and liblapack libraries provided by the system
+# -I .                    : Include the curent directory (Mandatory)
+#
+# --ninja                 : Allow the utilisation of ninja. (Mandatory)
+# --align=32              : Align all provided arrays on a 32-byte boundary
+#
+#
+[COMMON]
+FC           : gfortran -ffree-line-length-none -I . -mavx -g -fPIC
+LAPACK_LIB   : -L/appl/lumi/spack/22.08/0.18.1/opt/spack/openblas-0.3.17-xinceno/lib -lopenblas
+IRPF90       : irpf90
+IRPF90_FLAGS : --ninja --align=32 -DSET_NESTED 
+
+# Global options
+################
+#
+# 1 : Activate
+# 0 : Deactivate
+# 
+[OPTION]
+MODE    : OPT        ; [ OPT | PROFILE | DEBUG ] : Chooses the section below
+CACHE   : 0          ; Enable cache_compile.py
+OPENMP  : 1          ; Append OpenMP flags
+
+# Optimization flags
+####################
+#
+# -Ofast                  : Disregard strict standards compliance. Enables all -O3 optimizations.
+#                           It also enables optimizations that are not valid
+#                           for all standard-compliant programs.  It turns on
+#                           -ffast-math and the Fortran-specific
+#                           -fno-protect-parens and -fstack-arrays.
+[OPT]
+FCFLAGS : -Ofast -march=native
+
+# Profiling flags
+#################
+#
+[PROFILE]
+FC       : -p -g
+FCFLAGS  : -Ofast
+
+# Debugging flags
+#################
+#
+# -fcheck=all  : Checks uninitialized variables,  array subscripts, etc...
+# -g           : Extra debugging information
+#
+[DEBUG]
+FCFLAGS : -fcheck=all -g
+
+# OpenMP flags
+#################
+#
+[OPENMP]
+FC           : -fopenmp
+IRPF90_FLAGS : --openmp
+

config/cray_intel.cfg

@@ -0,0 +1,67 @@
+# Common flags
+##############
+#
+# -mkl=[parallel|sequential] : Use the MKL library
+# --ninja                 : Allow the utilisation of ninja. It is mandatory !
+# --align=32                 : Align all provided arrays on a 32-byte boundary
+#
+[COMMON]
+FC           : ftn -dynamic -fpic
+LAPACK_LIB   : 
+IRPF90       : irpf90
+IRPF90_FLAGS : --ninja --align=32 -DMPI  
+# For KNL, use:
+#IRPF90_FLAGS : --ninja --align=64 -DMPI  
+
+# Global options
+################
+#
+# 1 : Activate
+# 0 : Deactivate
+# 
+[OPTION]
+MODE    : OPT        ; [ OPT | PROFILE | DEBUG ] : Chooses the section below
+CACHE   : 0          ; Enable cache_compile.py
+OPENMP  : 1          ; Append OpenMP flags
+
+# Optimization flags
+####################
+#
+# -xHost                     : Compile a binary optimized for the current architecture
+# -O2                        : O3 not better than O2.
+# -ip                        : Inter-procedural optimizations
+# -ftz                       : Flushes denormal results to zero
+#
+[OPT]
+FCFLAGS  : -xCORE-AVX2 -O2 -ip -ftz -g -traceback -qopt-prefetch=5 -qopt-prefetch-issue-excl-hint -unroll-aggressive 
+#
+#For KNL, use:
+#FCFLAGS : -xMIC-AVX512 -O2 -ip -ftz -g -traceback -qopt-prefetch=5 -qopt-prefetch-issue-excl-hint -unroll-aggressive 
+#
+# Profiling flags
+#################
+#
+[PROFILE]
+FC       : -p -g
+FCFLAGS  : -xSSE4.2 -O2 -ip -ftz -qopt-prefetch
+
+# Debugging flags
+#################
+#
+# -traceback   : Activate backtrace on runtime
+# -fpe0        : All floating point exaceptions
+# -C           : Checks uninitialized variables,  array subscripts, etc...
+# -g           : Extra debugging information
+# -xSSE2       : Valgrind needs a very simple x86 executable
+#
+[DEBUG]
+FC      : -g -traceback
+FCFLAGS : -xCORE-AVX2 -C -fpe0 -traceback
+
+# OpenMP flags
+#################
+#
+[OPENMP]
+FC           : -qopenmp
+IRPF90_FLAGS : --openmp
+

config/gfortran.cfg

@@ -10,7 +10,7 @@
 #
 #
 [COMMON]
-FC           : gfortran -g -ffree-line-length-none -I . -fPIC
+FC           : gfortran -g -ffree-line-length-none -I . -fPIC -march=native
 LAPACK_LIB   : -lblas -llapack
 IRPF90       : irpf90
 IRPF90_FLAGS : --ninja --align=32 --assert -DSET_NESTED
@@ -22,7 +22,7 @@ IRPF90_FLAGS : --ninja --align=32 --assert -DSET_NESTED
 # 0 : Deactivate
 #
 [OPTION]
-MODE    : DEBUG      ; [ OPT | PROFILE | DEBUG ] : Chooses the section below
+MODE    : OPT        ; [ OPT | PROFILE | DEBUG ] : Chooses the section below
 CACHE   : 0          ; Enable cache_compile.py
 OPENMP  : 1          ; Append OpenMP flags
 

config/gfortran_armpl.cfg

@@ -0,0 +1,65 @@
+# Common flags
+##############
+# module load arm
+# module load gnu
+# module load acfl
+#
+# -ffree-line-length-none : Needed for IRPF90 which produces long lines
+# -lblas -llapack         : Link with libblas and liblapack libraries provided by the system
+# -I .                    : Include the curent directory (Mandatory)
+#
+# --ninja                 : Allow the utilisation of ninja. (Mandatory)
+# --align=32              : Align all provided arrays on a 32-byte boundary
+#
+#
+[COMMON]
+FC           : gfortran -g -ffree-line-length-none -I . -fPIC -march=native
+LAPACK_LIB   : -larmpl_lp64
+IRPF90       : irpf90
+IRPF90_FLAGS : --ninja --align=32 --assert -DSET_NESTED
+
+# Global options
+################
+#
+# 1 : Activate
+# 0 : Deactivate
+#
+[OPTION]
+MODE    : OPT      ; [ OPT | PROFILE | DEBUG ] : Chooses the section below
+CACHE   : 0        ; Enable cache_compile.py
+OPENMP  : 1        ; Append OpenMP flags
+
+# Optimization flags
+####################
+#
+# -Ofast                  : Disregard strict standards compliance. Enables all -O3 optimizations.
+#                           It also enables optimizations that are not valid
+#                           for all standard-compliant programs.  It turns on
+#                           -ffast-math and the Fortran-specific
+#                           -fno-protect-parens and -fstack-arrays.
+[OPT]
+FCFLAGS : -Ofast
+
+# Profiling flags
+#################
+#
+[PROFILE]
+FC      : -p -g
+FCFLAGS : -Ofast
+
+# Debugging flags
+#################
+#
+# -fcheck=all  : Checks uninitialized variables,  array subscripts, etc...
+# -g           : Extra debugging information
+#
+[DEBUG]
+FCFLAGS : -g -march=native  -fcheck=all -Waliasing -Wampersand -Wconversion -Wsurprising -Wintrinsics-std -Wno-tabs -Wintrinsic-shadow -Wline-truncation -Wreal-q-constant -Wuninitialized  -fbacktrace -ffpe-trap=zero,overflow,underflow -finit-real=nan
+
+# OpenMP flags
+#################
+#
+[OPENMP]
+FC           : -fopenmp
+IRPF90_FLAGS : --openmp
+

config/gfortran_openblas.cfg

@@ -0,0 +1,62 @@
+# Common flags
+##############
+#
+# -ffree-line-length-none : Needed for IRPF90 which produces long lines
+# -lblas -llapack         : Link with libblas and liblapack libraries provided by the system
+# -I .                    : Include the curent directory (Mandatory)
+#
+# --ninja                 : Allow the utilisation of ninja. (Mandatory)
+# --align=32              : Align all provided arrays on a 32-byte boundary
+#
+#
+[COMMON]
+FC           : gfortran -g -ffree-line-length-none -I . -fPIC -march=native
+LAPACK_LIB   : -lopenblas
+IRPF90       : irpf90
+IRPF90_FLAGS : --ninja --align=32 --assert -DSET_NESTED
+
+# Global options
+################
+#
+# 1 : Activate
+# 0 : Deactivate
+#
+[OPTION]
+MODE    : OPT      ; [ OPT | PROFILE | DEBUG ] : Chooses the section below
+CACHE   : 0        ; Enable cache_compile.py
+OPENMP  : 1        ; Append OpenMP flags
+
+# Optimization flags
+####################
+#
+# -Ofast                  : Disregard strict standards compliance. Enables all -O3 optimizations.
+#                           It also enables optimizations that are not valid
+#                           for all standard-compliant programs.  It turns on
+#                           -ffast-math and the Fortran-specific
+#                           -fno-protect-parens and -fstack-arrays.
+[OPT]
+FCFLAGS : -Ofast
+
+# Profiling flags
+#################
+#
+[PROFILE]
+FC      : -p -g
+FCFLAGS : -Ofast
+
+# Debugging flags
+#################
+#
+# -fcheck=all  : Checks uninitialized variables,  array subscripts, etc...
+# -g           : Extra debugging information
+#
+[DEBUG]
+FCFLAGS : -g -march=native  -fcheck=all -Waliasing -Wampersand -Wconversion -Wsurprising -Wintrinsics-std -Wno-tabs -Wintrinsic-shadow -Wline-truncation -Wreal-q-constant -Wuninitialized  -fbacktrace -ffpe-trap=zero,overflow,underflow -finit-real=nan
+
+# OpenMP flags
+#################
+#
+[OPENMP]
+FC           : -fopenmp
+IRPF90_FLAGS : --openmp
+

config/ifort_2019_avx.cfg

@@ -7,7 +7,7 @@
 #
 [COMMON]
 FC           : ifort -fpic
-LAPACK_LIB   : -mkl=parallel -lirc -lsvml -limf -lipps
+LAPACK_LIB   : -mkl=parallel 
 IRPF90       : irpf90
 IRPF90_FLAGS : --ninja --align=32 -DINTEL -DSET_NESTED
 

config/ifort_2019_avx_mpi.cfg

@@ -7,7 +7,7 @@
 #
 [COMMON]
 FC           : mpiifort -fpic
-LAPACK_LIB   : -mkl=parallel -lirc -lsvml -limf -lipps
+LAPACK_LIB   : -mkl=parallel
 IRPF90       : irpf90
 IRPF90_FLAGS : --ninja --align=32 -DMPI -DINTEL -DSET_NESTED
 

config/ifort_2019_debug.cfg

@@ -0,0 +1,66 @@
+# Common flags
+##############
+#
+# -mkl=[parallel|sequential] : Use the MKL library
+# --ninja                 : Allow the utilisation of ninja. It is mandatory !
+# --align=32                 : Align all provided arrays on a 32-byte boundary
+#
+[COMMON]
+FC           : ifort -fpic
+LAPACK_LIB   : -mkl=parallel -lirc -lsvml -limf -lipps
+IRPF90       : irpf90
+IRPF90_FLAGS : --ninja --align=32 --assert -DINTEL -DSET_NESTED
+
+# Global options
+################
+#
+# 1 : Activate
+# 0 : Deactivate
+# 
+[OPTION]
+MODE    : DEBUG      ; [ OPT | PROFILE | DEBUG ] : Chooses the section below
+CACHE   : 0          ; Enable cache_compile.py
+OPENMP  : 1          ; Append OpenMP flags
+
+# Optimization flags
+####################
+#
+# -xHost                     : Compile a binary optimized for the current architecture
+# -O2                        : O3 not better than O2.
+# -ip                        : Inter-procedural optimizations
+# -ftz                       : Flushes denormal results to zero
+#
+[OPT]
+FC       : -traceback
+FCFLAGS  : -msse4.2 -O2 -ip -ftz -g 
+
+
+# Profiling flags
+#################
+#
+[PROFILE]
+FC       : -p -g
+FCFLAGS  : -msse4.2 -O2 -ip -ftz 
+
+
+# Debugging flags
+#################
+#
+# -traceback   : Activate backtrace on runtime
+# -fpe0        : All floating point exaceptions
+# -C           : Checks uninitialized variables,  array subscripts, etc...
+# -g           : Extra debugging information
+# -msse4.2     : Valgrind needs a very simple x86 executable
+#
+[DEBUG]
+FC      : -g -traceback
+FCFLAGS : -msse4.2 -check all -debug all -fpe-all=0  -implicitnone
+
+
+# OpenMP flags
+#################
+#
+[OPENMP]
+FC           : -qopenmp
+IRPF90_FLAGS : --openmp
+

config/ifort_2019_mpi_rome.cfg

@@ -7,7 +7,7 @@
 #
 [COMMON]
 FC           : mpiifort -fpic
-LAPACK_LIB   : -mkl=parallel -lirc -lsvml -limf -lipps
+LAPACK_LIB   : -mkl=parallel
 IRPF90       : irpf90
 IRPF90_FLAGS : --ninja --align=32 -DINTEL -DSET_NESTED
 

config/ifort_2019_rome.cfg

@@ -7,7 +7,7 @@
 #
 [COMMON]
 FC           : ifort -fpic
-LAPACK_LIB   : -mkl=parallel -lirc -lsvml -limf -lipps
+LAPACK_LIB   : -mkl=parallel
 IRPF90       : irpf90
 IRPF90_FLAGS : --ninja --align=32 -DINTEL -DSET_NESTED
 

config/ifort_2019_sse4.cfg

@@ -7,7 +7,7 @@
 #
 [COMMON]
 FC           : ifort -fpic
-LAPACK_LIB   : -mkl=parallel -lirc -lsvml -limf -lipps
+LAPACK_LIB   : -mkl=parallel
 IRPF90       : irpf90
 IRPF90_FLAGS : --ninja --align=32 -DINTEL -DSET_NESTED
 

config/ifort_2019_sse4_mpi.cfg

@@ -7,7 +7,7 @@
 #
 [COMMON]
 FC           : mpiifort -fpic
-LAPACK_LIB   : -mkl=parallel -lirc -lsvml -limf -lipps
+LAPACK_LIB   : -mkl=parallel
 IRPF90       : irpf90
 IRPF90_FLAGS : --ninja --align=32 -DMPI -DINTEL -DSET_NESTED
 

config/ifort_2019_xHost.cfg

@@ -7,7 +7,7 @@
 #
 [COMMON]
 FC           : ifort -fpic
-LAPACK_LIB   : -mkl=parallel -lirc -lsvml -limf -lipps
+LAPACK_LIB   : -mkl=parallel
 IRPF90       : irpf90
 IRPF90_FLAGS : --ninja --align=64 -DINTEL -DSET_NESTED
 

config/ifort_2021_avx.cfg

@@ -7,7 +7,7 @@
 #
 [COMMON]
 FC           : ifort -fpic
-LAPACK_LIB   : -mkl=parallel -lirc -lsvml -limf -lipps
+LAPACK_LIB   : -mkl=parallel
 IRPF90       : irpf90
 IRPF90_FLAGS : --ninja --align=32 -DINTEL 
 

config/ifort_2021_avx_mpi.cfg

@@ -7,7 +7,7 @@
 #
 [COMMON]
 FC           : mpiifort -fpic
-LAPACK_LIB   : -mkl=parallel -lirc -lsvml -limf -lipps
+LAPACK_LIB   : -mkl=parallel
 IRPF90       : irpf90
 IRPF90_FLAGS : --ninja --align=32 -DMPI -DINTEL 
 

config/ifort_2021_mpi_rome.cfg

@@ -7,7 +7,7 @@
 #
 [COMMON]
 FC           : mpiifort -fpic
-LAPACK_LIB   : -mkl=parallel -lirc -lsvml -limf -lipps
+LAPACK_LIB   : -mkl=parallel
 IRPF90       : irpf90
 IRPF90_FLAGS : --ninja --align=32 -DINTEL 
 

config/ifort_2021_rome.cfg

@@ -7,7 +7,7 @@
 #
 [COMMON]
 FC           : ifort -fpic
-LAPACK_LIB   : -mkl=parallel -lirc -lsvml -limf -lipps
+LAPACK_LIB   : -mkl=parallel
 IRPF90       : irpf90
 IRPF90_FLAGS : --ninja --align=32 -DINTEL 
 

config/ifort_2021_sse4.cfg

@@ -7,7 +7,7 @@
 #
 [COMMON]
 FC           : ifort -fpic
-LAPACK_LIB   : -mkl=parallel -lirc -lsvml -limf -lipps
+LAPACK_LIB   : -mkl=parallel
 IRPF90       : irpf90
 IRPF90_FLAGS : --ninja --align=32 -DINTEL 
 

config/ifort_2021_sse4_mpi.cfg

@@ -7,7 +7,7 @@
 #
 [COMMON]
 FC           : mpiifort -fpic
-LAPACK_LIB   : -mkl=parallel -lirc -lsvml -limf -lipps
+LAPACK_LIB   : -mkl=parallel
 IRPF90       : irpf90
 IRPF90_FLAGS : --ninja --align=32 -DMPI -DINTEL 
 

config/ifort_2021_xHost.cfg

@@ -7,7 +7,7 @@
 #
 [COMMON]
 FC           : ifort -fpic
-LAPACK_LIB   : -mkl=parallel -lirc -lsvml -limf -lipps
+LAPACK_LIB   : -mkl=parallel
 IRPF90       : irpf90
 IRPF90_FLAGS : --ninja --align=64 -DINTEL