comp-chem/cp2k
1
0
Fork 0
mirror of https://github.com/cp2k/cp2k.git synced 2026-07-28 14:15:19 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions

pexsi: ignore floating point exceptions

Browse source 
svn-origin-rev: 18453
This commit is contained in:
Ole Schütt 2018-05-29 21:55:18 +00:00
parent d7e8ce0e34
commit efa9ed11cd
1 changed files with 21 additions and 0 deletions
Download patch file Download diff file Expand all files Collapse all files

21
src/pexsi_interface.F
View file

@ -20,6 +20,11 @@ MODULE pexsi_interface
f_ppexsi_plan_initialize, &
f_ppexsi_retrieve_real_dft_matrix, &
f_ppexsi_set_default_options
#endif
#if defined (__HAS_IEEE_EXCEPTIONS)
USE ieee_exceptions, ONLY: ieee_get_halting_mode, &
ieee_set_halting_mode, &
ieee_all
#endif
USE kinds, ONLY: int_8, &
real_8
@ -380,11 +385,27 @@ CONTAINS
#ifdef __LIBPEXSI
INTEGER :: handle, info
#if defined (__HAS_IEEE_EXCEPTIONS)
LOGICAL, DIMENSION(5) :: halt
#endif
CALL timeset(routineN, handle)
! Unfortuntatelly, some PEXSI kernels raise IEEE754 exceptions.
! Therefore, we disable floating point traps temporarily.
#if defined (__HAS_IEEE_EXCEPTIONS)
CALL ieee_get_halting_mode(IEEE_ALL, halt)
CALL ieee_set_halting_mode(IEEE_ALL, .FALSE.)
#endif
CALL f_ppexsi_dft_driver(plan, pexsi_options%options, numElectronExact, muPEXSI, &
numElectronPEXSI, muMinInertia, muMaxInertia, &
numTotalInertiaIter, numTotalPEXSIIter, info)
#if defined (__HAS_IEEE_EXCEPTIONS)
CALL ieee_set_halting_mode(IEEE_ALL, halt)
#endif
IF (info .NE. 0) &
CPABORT("Pexsi returned an error. Consider logPEXSI0 for details.")
CALL timestop(handle)