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Searched refs:nblock_tot (Results 1 – 7 of 7) sorted by relevance

/dports/science/gromacs/gromacs-2021.4/src/gromacs/listed_forces/
H A Dmanage_threading.cpp437 int nblock_tot = (numAtomsForce + reduction_block_size - 1) >> reduction_block_bits; in setup_bonded_threading() local
439 if (static_cast<size_t>(nblock_tot) > bt->block_index.size()) in setup_bonded_threading()
441 bt->block_index.resize(nblock_tot); in setup_bonded_threading()
443 if (static_cast<size_t>(nblock_tot) > bt->mask.size()) in setup_bonded_threading()
445 bt->mask.resize(nblock_tot); in setup_bonded_threading()
448 for (int b = 0; b < nblock_tot; b++) in setup_bonded_threading()
/dports/math/dbcsr/dbcsr-2.1.0/src/tas/
H A Ddbcsr_tas_io.F117 … INTEGER(KIND=int_8) :: nblock_tot, nblock_p_sum, nelement_p_sum, nelement_s_max, & local
150 nblock_tot = dbcsr_tas_nblkrows_total(matrix)*dbcsr_tas_nblkcols_total(matrix)
152 …IF (nblock_tot .NE. 0) occupation = 100.0_real_8*REAL(nblock_p_sum, real_8)/REAL(nblock_tot, real_…
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/exts/dbcsr/src/tas/
H A Ddbcsr_tas_io.F117 … INTEGER(KIND=int_8) :: nblock_tot, nblock_p_sum, nelement_p_sum, nelement_s_max, & local
150 nblock_tot = dbcsr_tas_nblkrows_total(matrix)*dbcsr_tas_nblkcols_total(matrix)
152 …IF (nblock_tot .NE. 0) occupation = 100.0_real_8*REAL(nblock_p_sum, real_8)/REAL(nblock_tot, real_…
/dports/math/dbcsr/dbcsr-2.1.0/src/tensors/
H A Ddbcsr_tensor_io.F120 INTEGER(KIND=int_8) :: nblock_sum, nelement_sum, nblock_tot local
144 nblock_tot = PRODUCT(INT(bdims, KIND=int_8))
147 … IF (nblock_tot .NE. 0) occupation = 100.0_real_8*REAL(nblock_sum, real_8)/REAL(nblock_tot, real_8)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/exts/dbcsr/src/tensors/
H A Ddbcsr_tensor_io.F120 INTEGER(KIND=int_8) :: nblock_sum, nelement_sum, nblock_tot local
144 nblock_tot = PRODUCT(INT(bdims, KIND=int_8))
147 … IF (nblock_tot .NE. 0) occupation = 100.0_real_8*REAL(nblock_sum, real_8)/REAL(nblock_tot, real_8)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dcp_dbcsr_output.F622 INTEGER(KIND=int_8) :: nblock_sum, nblock_tot, nelement_sum local
675 nblock_tot = INT(natom, KIND=int_8)*INT(natom + 1, KIND=int_8)/2
677 nblock_tot = INT(natom, KIND=int_8)**2
681 IF (nblock_tot .NE. 0) occupation = 100.0_dp*REAL(nblock_sum, dp)/REAL(nblock_tot, dp)
693 " of", nblock_tot, " (", occupation, " % occupation)"
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dcp_dbcsr_output.F622 INTEGER(KIND=int_8) :: nblock_sum, nblock_tot, nelement_sum local
675 nblock_tot = INT(natom, KIND=int_8)*INT(natom + 1, KIND=int_8)/2
677 nblock_tot = INT(natom, KIND=int_8)**2
681 IF (nblock_tot .NE. 0) occupation = 100.0_dp*REAL(nblock_sum, dp)/REAL(nblock_tot, dp)
693 " of", nblock_tot, " (", occupation, " % occupation)"