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Fixing travis

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This commit is contained in:
Anthony Scemama 2018-12-21 01:02:07 +01:00
parent dbdaeae65a
commit f28bc742a8
5 changed files with 87 additions and 85 deletions
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4
config/travis.cfg
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@ -35,7 +35,7 @@ OPENMP : 1 ; Append OpenMP flags
# -ffast-math and the Fortran-specific
# -fno-protect-parens and -fstack-arrays.
[OPT]
FCFLAGS : -Ofast -march=native -fimplicit-none
FCFLAGS : -Ofast -march=native
# Profiling flags
@ -53,7 +53,7 @@ FCFLAGS : -Ofast -fimplicit-none
# -g : Extra debugging information
#
[DEBUG]
FCFLAGS : -Ofast -fcheck=all -g -Waliasing -Wampersand -Wconversion -Wsurprising -Wintrinsics-std -Wno-tabs -Wintrinsic-shadow -Wline-truncation -Wreal-q-constant -fimplicit-none
FCFLAGS : -Ofast -fcheck=all -g -Waliasing -Wampersand -Wconversion -Wsurprising -Wintrinsics-std -Wno-tabs -Wintrinsic-shadow -Wline-truncation -Wreal-q-constant
# OpenMP flags

2
src/ao_basis/aos_transp.irp.f
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@ -30,7 +30,7 @@ BEGIN_PROVIDER [double precision, ao_expo_ordered_transp_per_nucl, (ao_prim_num_
END_PROVIDER
BEGIN_PROVIDER [ double precision, ao_power_ordered_transp_per_nucl, (3,N_AOs_max,nucl_num) ]
BEGIN_PROVIDER [ integer, ao_power_ordered_transp_per_nucl, (3,N_AOs_max,nucl_num) ]
implicit none
integer :: i,j,k,l
do i = 1, nucl_num

8
src/dft_utils_on_grid/density_matrices_in_real_space.irp.f
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@ -121,10 +121,12 @@ end
r(2) = grid_points_per_atom(2,l,k,j)
r(3) = grid_points_per_atom(3,l,k,j)
double precision :: dm_a,dm_b
double precision :: dm_a(N_states),dm_b(N_states)
call dm_dft_alpha_beta_at_r(r,dm_a,dm_b)
one_body_dm_mo_alpha_at_grid_points(l,k,j,1) = dm_a
one_body_dm_mo_beta_at_grid_points(l,k,j,1) = dm_b
do istate=1,N_states
one_body_dm_mo_alpha_at_grid_points(l,k,j,istate) = dm_a(istate)
one_body_dm_mo_beta_at_grid_points(l,k,j,istate) = dm_b(istate)
enddo
enddo
enddo

2
src/dft_utils_one_body/exc_sr_lda.irp.f
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@ -410,7 +410,7 @@ subroutine ecorrlr(rs,z,mu,eclr)
print*,'phi',phi
print*,'mu ',mu
print*,'rs ',rs
pause
stop -1
endif
eclr=(phi**3*Qrpa(mu*sqrt(rs)/phi)+a1*mu**3+a2*mu**4+a3*mu**5+ &
a4*mu**6+b0**8*mu**8*ec)/((1.d0+b0**2*mu**2)**4)

2
src/mo_two_e_integrals/mo_bi_integrals_erf.irp.f
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@ -55,7 +55,7 @@ BEGIN_PROVIDER [ logical, mo_bielec_integrals_erf_in_map ]
if (write_mo_integrals_erf) then
call ezfio_set_work_empty(.False.)
call map_save_to_disk(trim(ezfio_filename)//'/work/mo_ints_erf',mo_integrals_erf_map)
call ezfio_set_integrals_bielec_erf_disk_access_mo_integrals_erf("Read")
call ezfio_set_mo_two_e_integrals_disk_access_mo_integrals_erf("Read")
endif
END_PROVIDER