diff --git a/src/ccsd/aoccsd2.F b/src/ccsd/aoccsd2.F index ec436e385d..f43af82818 100644 --- a/src/ccsd/aoccsd2.F +++ b/src/ccsd/aoccsd2.F @@ -17,8 +17,8 @@ c Double Precision RefEner, Convi, Tol2E Character*(*) CC_Theory Integer RTDB, geom - logical oconverged, occd, use_trpdrv_nb - logical use_trpdrv_omp, use_trpdrv_bgp2 + logical oconverged, occd + logical use_trpdrv_omp logical use_trpdrv_omp_mp logical use_trpdrv_openmp_imax logical use_trpdrv_openacc @@ -717,9 +717,6 @@ C ! ! Determine if OpenMP, etc. should be used in (T) code ! - if (.not. rtdb_get(rtdb, 'ccsd:use_trpdrv_nb', mt_log, 1, - 1 use_trpdrv_nb)) - 2 use_trpdrv_nb=.false. if (.not. rtdb_get(rtdb, 'ccsd:use_trpdrv_omp', mt_log, 1, 1 use_trpdrv_omp)) 2 use_trpdrv_omp=.false. @@ -735,9 +732,6 @@ C if (.not. rtdb_get(rtdb, 'ccsd:use_trpdrv_offload', mt_log, 1, 1 use_trpdrv_offload)) 2 use_trpdrv_offload=.false. - if (.not. rtdb_get(rtdb, 'ccsd:use_trpdrv_bgp2', mt_log, 1, - 1 use_trpdrv_bgp2)) - 2 use_trpdrv_bgp2=.false. ! mem_avail = ma_inquire_avail(MT_DBL) if(iam.eq.0.and.oprint)write(luout,*)'memory',mem_avail @@ -1057,29 +1051,6 @@ c #else call errquit('aoccsd: trpdrv_omp_mixprec disabled ',0,0) #endif -c - elseif (use_trpdrv_nb) then -c - if (iam.eq.0.and.oprint) then - write(luout,1847) nvpass - call util_flush(luout) - endif - 1847 format(' commencing triples evaluation - non-blocking',i8) - call ccsd_trpdrv_nb(dbl_mb(k_t1), -#ifdef USE_F90_ALLOCATABLE - $ f1n,f1t,f2n,f2t,f3n,f3t,f4n,f4t, -#else - $ dbl_mb(k_f1n),dbl_mb(k_f1t),dbl_mb(k_f2n),dbl_mb(k_f2t), - $ dbl_mb(k_f3n),dbl_mb(k_f3t),dbl_mb(k_f4n),dbl_mb(k_f4t), -#endif - $ eorb,g_objo,g_objv,g_coul,g_exch,ncor,nocc,nvir,iprt, - $ empt(1),empt(2),oseg_lo,oseg_hi,kchunk, - $ dbl_mb(k_trp_Tij), dbl_mb(k_trp_Tkj), dbl_mb(k_trp_Tia), - $ dbl_mb(k_trp_Tka), dbl_mb(k_trp_Xia), dbl_mb(k_trp_Xka), - $ dbl_mb(k_trp_Jia), dbl_mb(k_trp_Jka), dbl_mb(k_trp_Kia), - $ dbl_mb(k_trp_Kka), dbl_mb(k_trp_Jij), dbl_mb(k_trp_Jkj), - $ dbl_mb(k_trp_Kij), dbl_mb(k_trp_Kkj), dbl_mb(k_trp_Dja), - $ dbl_mb(k_trp_Djka), dbl_mb(k_trp_Djia)) c #ifdef USE_MIC_TRPDRV elseif (use_trpdrv_offload) then @@ -1105,31 +1076,6 @@ c $ dbl_mb(k_trp_Kij), dbl_mb(k_trp_Kkj), dbl_mb(k_trp_Dja), $ dbl_mb(k_trp_Djka), dbl_mb(k_trp_Djia)) c -#endif -#ifdef BGP - elseif (use_trpdrv_bgp2) then -c - if (iam.eq.0.and.oprint) then - write(luout,1849)nvpass - call util_flush(luout) - endif - 1849 format(' commencing triples evaluation - Blue Gene v2',i8) - call ccsd_trpdrv_bgp2(dbl_mb(k_t1), -#ifdef USE_F90_ALLOCATABLE - $ f1n,f1t,f2n,f2t,f3n,f3t,f4n,f4t, -#else - $ dbl_mb(k_f1n),dbl_mb(k_f1t),dbl_mb(k_f2n),dbl_mb(k_f2t), - $ dbl_mb(k_f3n),dbl_mb(k_f3t),dbl_mb(k_f4n),dbl_mb(k_f4t), -#endif - $ eorb,g_objo,g_objv,g_coul,g_exch,ncor,nocc,nvir,iprt, - $ empt(1),empt(2),oseg_lo,oseg_hi,kchunk, - $ dbl_mb(k_trp_Tij), dbl_mb(k_trp_Tkj), dbl_mb(k_trp_Tia), - $ dbl_mb(k_trp_Tka), dbl_mb(k_trp_Xia), dbl_mb(k_trp_Xka), - $ dbl_mb(k_trp_Jia), dbl_mb(k_trp_Jka), dbl_mb(k_trp_Kia), - $ dbl_mb(k_trp_Kka), dbl_mb(k_trp_Jij), dbl_mb(k_trp_Jkj), - $ dbl_mb(k_trp_Kij), dbl_mb(k_trp_Kkj), dbl_mb(k_trp_Dja), - $ dbl_mb(k_trp_Djka), dbl_mb(k_trp_Djia)) -c #endif else c