diff --git a/.travis.yml b/.travis.yml index fe8de634..71570786 100644 --- a/.travis.yml +++ b/.travis.yml @@ -13,11 +13,9 @@ addons: packages: - gfortran - gcc -# - liblapack-dev - - libatlas-dev + - liblapack-dev + - libblas-dev - graphviz -# - zlib1g-dev -# - libgmp3-dev cache: directories: diff --git a/config/gfortran.cfg b/config/gfortran.cfg index c0aa875f..0cf3af61 100644 --- a/config/gfortran.cfg +++ b/config/gfortran.cfg @@ -11,7 +11,7 @@ # [COMMON] FC : gfortran -ffree-line-length-none -I . -LAPACK_LIB : -llapack -lblas +LAPACK_LIB : -Wl,--start-group ${MKLROOT}/lib/intel64/libmkl_gf_lp64.a ${MKLROOT}/lib/intel64/libmkl_gnu_thread.a ${MKLROOT}/lib/intel64/libmkl_core.a -Wl,--end-group -lgomp -lpthread -lm -ldl IRPF90 : irpf90 IRPF90_FLAGS : --ninja --align=32 diff --git a/config/gfortran_debug.cfg b/config/gfortran_debug.cfg index 91a12345..4e0d4c86 100644 --- a/config/gfortran_debug.cfg +++ b/config/gfortran_debug.cfg @@ -11,7 +11,7 @@ # [COMMON] FC : gfortran -g -ffree-line-length-none -I . -LAPACK_LIB : -llapack -lblas +LAPACK_LIB : -Wl,--start-group /usr/local/intel_new/2016_3/compilers_and_libraries/../mkl/lib/intel64/libmkl_gf_lp64.a /usr/local/intel_new/2016_3/compilers_and_libraries/../mkl/lib/intel64/libmkl_gnu_thread.a /usr/local/intel_new/2016_3/compilers_and_libraries/../mkl/lib/intel64/libmkl_core.a -Wl,--end-group -lgomp -lpthread -lm -ldl IRPF90 : irpf90 IRPF90_FLAGS : --ninja --align=32 --assert diff --git a/src/Integrals_Bielec/ao_bielec_integrals_in_map_slave.irp.f b/src/Integrals_Bielec/ao_bielec_integrals_in_map_slave.irp.f index f24e4974..1333753d 100644 --- a/src/Integrals_Bielec/ao_bielec_integrals_in_map_slave.irp.f +++ b/src/Integrals_Bielec/ao_bielec_integrals_in_map_slave.irp.f @@ -142,8 +142,8 @@ subroutine ao_bielec_integrals_in_map_collector integer(ZMQ_PTR), external :: new_zmq_pull_socket integer(ZMQ_PTR) :: zmq_socket_pull - integer*8 :: control, accu - integer :: task_id, more, sze + integer*8 :: control, accu, sze + integer :: task_id, more zmq_to_qp_run_socket = new_zmq_to_qp_run_socket() zmq_socket_pull = new_zmq_pull_socket() diff --git a/src/Utils/constants.include.F b/src/Utils/constants.include.F index 4974fd8e..7f1e71f3 100644 --- a/src/Utils/constants.include.F +++ b/src/Utils/constants.include.F @@ -1,6 +1,6 @@ integer, parameter :: max_dim = 511 integer, parameter :: SIMD_vector = 32 -integer, parameter :: N_int_max = 16 +integer, parameter :: N_int_max = 32 double precision, parameter :: pi = dacos(-1.d0) double precision, parameter :: sqpi = dsqrt(dacos(-1.d0))