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[求助]
QE GPU14.03 编译错误
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编译QE的GPU版本代码时出现如下错误 compilation aborted for data_structure_gpu.f90 (code 1) make[1]: *** [data_structure_gpu.o] Error 1 make[1]: *** Waiting for unfinished jobs.... make: *** [pw-gpu] Error 2 具体的详细如下： ar: creating libphigemm.a iotk_stream.f90(42): warning #6843: A dummy argument with an explicit INTENT(OUT) declaration is not given an explicit value. [VAL] subroutine iotk_stream_read_LOGICAL1(unit,header,val,setpos,getpos,noval,ierr) -------------------------------------------------^ iotk_stream.f90(406): warning #6843: A dummy argument with an explicit INTENT(OUT) declaration is not given an explicit value. [VAL] subroutine iotk_stream_read_INTEGER1(unit,header,val,setpos,getpos,noval,ierr) -------------------------------------------------^ iotk_stream.f90(770): warning #6843: A dummy argument with an explicit INTENT(OUT) declaration is not given an explicit value. [VAL] subroutine iotk_stream_read_REAL1(unit,header,val,setpos,getpos,noval,ierr) ----------------------------------------------^ iotk_stream.f90(861): warning #6843: A dummy argument with an explicit INTENT(OUT) declaration is not given an explicit value. [VAL] subroutine iotk_stream_read_REAL2(unit,header,val,setpos,getpos,noval,ierr) ----------------------------------------------^ iotk_stream.f90(1134): warning #6843: A dummy argument with an explicit INTENT(OUT) declaration is not given an explicit value. [VAL] subroutine iotk_stream_read_COMPLEX1(unit,header,val,setpos,getpos,noval,ierr) -------------------------------------------------^ iotk_stream.f90(1225): warning #6843: A dummy argument with an explicit INTENT(OUT) declaration is not given an explicit value. [VAL] subroutine iotk_stream_read_COMPLEX2(unit,header,val,setpos,getpos,noval,ierr) -------------------------------------------------^ iotk_stream.f90(1498): warning #6843: A dummy argument with an explicit INTENT(OUT) declaration is not given an explicit value. [VAL] subroutine iotk_stream_read_CHARACTER1(unit,header,val,setpos,getpos,noval,ierr) ---------------------------------------------------^ iotk_attr+COMPLEX2_0.f90(131): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. read(string(pos+1:pos1-1),"(G100.95)",iostat=iostat) tmpreal ---------------------------------^ iotk_attr+COMPLEX1_0.f90(131): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. read(string(pos+1:pos1-1),"(G100.95)",iostat=iostat) tmpreal ---------------------------------^ iotk_attr+REAL2_0.f90(129): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. read( string(pos+1:pos1-1), "(G100.95)",iostat=iostat) val(index) -----------------------------------^ iotk_attr+REAL1_0.f90(129): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. read( string(pos+1:pos1-1), "(G100.95)",iostat=iostat) val(index) -----------------------------------^ ar: creating libiotk.a make[3]: warning: jobserver unavailable: using -j1. Add `+' to parent make rule. make[3]: warning: jobserver unavailable: using -j1. Add `+' to parent make rule. kind.f90(38): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. WRITE( stdout,'(/,T2,A,T78,A,2(/,T2,A,T75,I6),3(/,T2,A,T67,E14.8))') & --------------------------------------------------------------------^ kind.f90(44): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. WRITE( stdout,'(/,T2,A,T78,A,2(/,T2,A,T75,I6),3(/,T2,A,T67,E14.8))') & --------------------------------------------------------------------^ bfgs_module.f90(934): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. & FMT = '(5X,"(criteria: energy < ",E8.2,", force < ",E8.2, & ---------------------------------------------------^ bfgs_module.f90(934): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. & FMT = '(5X,"(criteria: energy < ",E8.2,", force < ",E8.2, & ---------------------------------------------------------------------^ bfgs_module.f90(934): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. & FMT = '(5X,"(criteria: energy < ",E8.2,", force < ",E8.2, & ---------------------------------------------------------------------------^ bfgs_module.f90(938): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. & FMT = '(5X,"(criteria: energy < ",E8.2,", force < ",E8.2, & ---------------------------------------------------^ bfgs_module.f90(938): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. & FMT = '(5X,"(criteria: energy < ",E8.2,", force < ",E8.2, & ---------------------------------------------------------------------^ read_uspp.f90(676): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. read( iunps, '(2e17.11,i5)') & ---------------------^ read_uspp.f90(681): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. read( iunps, '(4e17.11,i5)',err=100, iostat=ios ) & ---------------------^ ar: creating libqemod.a fftw.c(27449): warning #188: enumerated type mixed with another type EXPECT_INT(dir); ^ fftw.c(27450): warning #188: enumerated type mixed with another type EXPECT_INT(type); ^ ar: creating clib.a ar: creating ptools.a ar: creating flib.a vcsubs.f90(894): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. 302 format(1x,3e12.8) ----------------^ wannier_check.f90(51): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'. write(stdout,'(10x,f12.10," of l=",i1,", m=",i1)') & -------------------------------^ bp_c_phase.f90(955): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'. WRITE( stdout,"(/,8X,'The polarization direction is: ( ', & ---------------------------------------------------------------^ bp_c_phase.f90(955): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'. WRITE( stdout,"(/,8X,'The polarization direction is: ( ', & ---------------------------------------------------------------^ bp_c_phase.f90(955): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'. WRITE( stdout,"(/,8X,'The polarization direction is: ( ', & ---------------------------------------------------------------^ restart_in_electrons.f90(75): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. WRITE( stdout, '(5x,"tr2 = ",1pe8.2," ethr = ",1pe8.2)') tr2, ethr ----------------------------------^ restart_in_electrons.f90(75): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. WRITE( stdout, '(5x,"tr2 = ",1pe8.2," ethr = ",1pe8.2)') tr2, ethr ----------------------------------------------------^ vcsmd.f90(247): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. WRITE( stdout,'(/5X,A,/,5x,"convergence thresholds EPSE = ",E8.2, & ---------------------------------------------------------------------^ vcsmd.f90(247): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. WRITE( stdout,'(/5X,A,/,5x,"convergence thresholds EPSE = ",E8.2, & ---------------------------------------------------------------------------^ ar: creating libcp.a electrons.f90(759): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'. 9010 FORMAT(/' iteration #',I3,' ecut=', F9.2,' Ry',5X,'beta=',F4.2 ) ------------------------------------------------------------------------^ ar: creating libpw.a data_structure_gpu.f90(18): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [MP_BANDS] USE mp_bands, ONLY : me_bgrp, nproc_bgrp, root_bgrp, intra_bgrp_comm, & ------^ data_structure_gpu.f90(20): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [MP_POOLS] USE mp_pools, ONLY : inter_pool_comm ------^ data_structure_gpu.f90(60): error #6406: Conflicting attributes or multiple declaration of name. [INTER_POOL_COMM] CALL mp_max (gkcut, inter_pool_comm ) ----------------------^ data_structure_gpu.f90(60): error #6285: There is no matching specific subroutine for this generic subroutine call. [MP_MAX] CALL mp_max (gkcut, inter_pool_comm ) -------^ data_structure_gpu.f90(65): error #6406: Conflicting attributes or multiple declaration of name. [ME_BGRP] dfftp, dffts, ngw_ , ngm_ , ngs_ , me_bgrp, & -----------------------------------------------------^ data_structure_gpu.f90(66): error #6406: Conflicting attributes or multiple declaration of name. [ROOT_BGRP] root_bgrp, nproc_bgrp, intra_bgrp_comm, ntask_groups ) ------------------^ data_structure_gpu.f90(66): error #6406: Conflicting attributes or multiple declaration of name. [NPROC_BGRP] root_bgrp, nproc_bgrp, intra_bgrp_comm, ntask_groups ) -----------------------------^ data_structure_gpu.f90(66): error #6406: Conflicting attributes or multiple declaration of name. [INTRA_BGRP_COMM] root_bgrp, nproc_bgrp, intra_bgrp_comm, ntask_groups ) -----------------------------------------^ data_structure_gpu.f90(66): error #6406: Conflicting attributes or multiple declaration of name. [NTASK_GROUPS] root_bgrp, nproc_bgrp, intra_bgrp_comm, ntask_groups ) ----------------------------------------------------------^ data_structure_gpu.f90(71): error #6406: Conflicting attributes or multiple declaration of name. [INTRA_BGRP_COMM] call gvect_init ( ngm_ , intra_bgrp_comm ) ---------------------------^ data_structure_gpu.f90(72): error #6406: Conflicting attributes or multiple declaration of name. [INTRA_BGRP_COMM] call gvecs_init ( ngs_ , intra_bgrp_comm ) ---------------------------^ data_structure_gpu.f90(18): error #6580: Name in only-list does not exist. [ME_BGRP] USE mp_bands, ONLY : me_bgrp, nproc_bgrp, root_bgrp, intra_bgrp_comm, & -------------------------^ data_structure_gpu.f90(18): error #6580: Name in only-list does not exist. [NPROC_BGRP] USE mp_bands, ONLY : me_bgrp, nproc_bgrp, root_bgrp, intra_bgrp_comm, & ----------------------------------^ data_structure_gpu.f90(18): error #6580: Name in only-list does not exist. [ROOT_BGRP] USE mp_bands, ONLY : me_bgrp, nproc_bgrp, root_bgrp, intra_bgrp_comm, & ----------------------------------------------^ data_structure_gpu.f90(18): error #6580: Name in only-list does not exist. [INTRA_BGRP_COMM] USE mp_bands, ONLY : me_bgrp, nproc_bgrp, root_bgrp, intra_bgrp_comm, & ---------------------------------------------------------^ data_structure_gpu.f90(19): error #6580: Name in only-list does not exist. [NTASK_GROUPS] ntask_groups -------------------------^ data_structure_gpu.f90(20): error #6580: Name in only-list does not exist. [INTER_POOL_COMM] USE mp_pools, ONLY : inter_pool_comm -------------------------^ compilation aborted for data_structure_gpu.f90 (code 1) make[1]: *** [data_structure_gpu.o] Error 1 make[1]: *** Waiting for unfinished jobs.... make: *** [pw-gpu] Error 2 -------------------------------------------------------------------------------------------------------------------- 从中间开始就报错，error #7002:Error in opening the compiled module file. Check INCLUDE paths. [MP_BANDS] 求高手指点 |
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