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XClib - omp variable declaration was missing

This commit is contained in:
fabrizio22 2022-05-20 11:15:55 +02:00
parent 2901232dff
commit 781423b29a
2 changed files with 10 additions and 6 deletions
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12
XClib/README.TEST
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@ -3,12 +3,16 @@
--------------------------
To compile the following side programs, once you have properly
configured QE, just type:
configured QE, go to XClib directory and type:
make test
in the XClib directory. With CMake they will be compiled automati-
cally if 'QE_ENABLE_TEST' is set to true (default).
for the xclib testing program (xclib_test.x) and
make infos
for the dft infos one (xc_infos.x). With CMake they will be compiled
automatically if 'QE_ENABLE_TEST' is set to true (default).
---------------------- XC_INFO -----------------------------------

4
XClib/qe_drivers_gga.f90
View File

@ -89,7 +89,7 @@ SUBROUTINE gcxc( length, rho_in, grho_in, sx_out, sc_out, v1x_out, &
#else
!$omp parallel if(ntids==1) default(none) &
!$omp private( rho, grho, sx, sx_, sxsr, v1x, v1x_, v1xsr, &
!$omp v2x, v2x_, v2xsr, sc, v1c, v2c, iflag ) &
!$omp v2x, v2x_, v2xsr, sc, v1c, v2c, iflag, in_err ) &
!$omp shared( rho_in, grho_in, length, igcx, exx_started, &
!$omp grho_threshold_gga, rho_threshold_gga, gau_parameter, &
!$omp screening_parameter, exx_fraction, igcc, v1x_out, v2x_out, &
@ -507,7 +507,7 @@ SUBROUTINE gcx_spin( length, rho_in, grho2_in, sx_tot, v1x_out, v2x_out )
!$omp private( rho_up, rho_dw, grho2_up, grho2_dw, rnull_up, rnull_dw, &
!$omp sx_up, sx_dw, sxsr_up, sxsr_dw, v1xsr_up, v1xsr_dw, &
!$omp v1x_up, v1x_dw, v2x_up, v2x_dw, v2xsr_up, v2xsr_dw, &
!$omp iflag ) &
!$omp iflag, in_err ) &
!$omp shared( rho_in, length, grho2_in, sx_tot, v1x_out, v2x_out, &
!$omp igcx, exx_started, exx_fraction, screening_parameter,&
!$omp gau_parameter )