Dear users, I've tried to compile tbtrans the same as you and I have the same problem with m_tbt_gf.F90; did you figure out what was the problem or how to get over it? I utilize open-mpi and the arch.make I enclose. I tryed to compile it wiht the non-parallel version of the arch.make but I have always the same problem with the allocation in m_tbt_gf.F90 variables.
Best regards Juan Manuel On Thu, Jul 28, 2011 at 8:09 PM, Nick Papior Andersen <[email protected]> wrote: > Hi Dmitry > > I dont have the 364 version available. But have version 367 which i can > compile. I dont suspect such critical changes between these two revisions (i > am not aware of any). > Try to compile without the Intel math libraries (in fact i would suggest to > only use those with a intel compiler). > Instead you could search through netlib.org for ATLAS, BLAS, BLACS, LAPACK. > Try to use those libs instead. > Also your line: > FC=mpifc > should be > FC=mpif90 > > Is the MPI library compiled with the gfortran compiler as well? > Check for this and try to use a consistent compiler through the process. > Then report back :) > > Kind regards Nick > > 2011/7/28 Dmitry G. Kvashnin <[email protected]> >> >> Hi Nick. >> >> I'm trying to insert in arch.make your command, but notthing. >> I'm using siesta-trunk-364 with gfortran compiler. I've attached arch.make >> flie. >> I don't try to compile without MPI. >> >> >> On 28 July 2011 21:11, Nick Papior Andersen <[email protected]> wrote: >>> >>> Hi Dmitry >>> >>> As you have not specified the version of the siesta i will suspect that >>> you are using vs. 3.0-367? >>> Which compiler and arch.make file are you using? >>> If you are using Intel v11 you can try placing >>> DUMMY_FOX= --enable-dummy >>> in your arch.make. >>> >>> Can you compile without MPI? What have you tried? >>> >>> Kind regards Nick >>> >>> >>> 2011/7/28 Dmitry G. Kvashnin <[email protected]> >>> >>>> Dear TranSIESTA uesrs, >>>> >>>> I'l try to compile TBTrans utility in computer cluster and I have an >>>> error. I find such questions in archive, but cna't find the answer. >>>> >>>> m_tbt_kpts.F90:20: warning: extra tokens at end of #endif directive >>>> m_tbt_kpts.F90:45: warning: extra tokens at end of #endif directive >>>> m_tbt_kpts.F90:92: warning: extra tokens at end of #endif directive >>>> m_tbt_kpts.F90:101: warning: extra tokens at end of #endif directive >>>> m_tbt_kpts.F90:145: warning: extra tokens at end of #endif directive >>>> m_tbt_kpts.F90:193: warning: extra tokens at end of #endif directive >>>> mpif90 -c -g -O2 -DMPI -DFC_HAVE_FLUSH -DFC_HAVE_ABORT tsread2.F >>>> mpif90 -c -g -O2 -DMPI -DFC_HAVE_FLUSH -DFC_HAVE_ABORT m_tbt_gf.F90 >>>> In file m_tbt_gf.F90:57 >>>> >>>> double precision, allocatable, dimension (:,:) :: H, xij >>>> 1 >>>> Error: ALLOCATABLE attribute conflicts with DUMMY attribute at (1) >>>> In file m_tbt_gf.F90:58 >>>> >>>> integer, allocatable, dimension (:) :: ix >>>> 1 >>>> Error: ALLOCATABLE attribute conflicts with DUMMY attribute at (1) >>>> In file m_tbt_gf.F90:59 >>>> >>>> double precision, allocatable, dimension (:) :: S,efs >>>> 1 >>>> Error: ALLOCATABLE attribute conflicts with DUMMY attribute at (1) >>>> In file m_tbt_gf.F90:60 >>>> >>>> integer, allocatable, dimension (:) :: listh, listhptr, numh, indxuo >>>> 1 >>>> Error: ALLOCATABLE attribute conflicts with DUMMY attribute at (1) >>>> In file m_tbt_gf.F90:67 >>>> >>>> allocate(H(maxnh,nspin)) >>>> 1 >>>> Error: Syntax error in ALLOCATE statement at (1) >>>> In file m_tbt_gf.F90:68 >>>> >>>> allocate(S(maxnh)) >>>> 1 >>>> Error: Syntax error in ALLOCATE statement at (1) >>>> In file m_tbt_gf.F90:69 >>>> >>>> allocate(indxuo(notot)) >>>> 1 >>>> Error: Syntax error in ALLOCATE statement at (1) >>>> In file m_tbt_gf.F90:70 >>>> >>>> allocate(listh(maxnh)) >>>> 1 >>>> Error: Syntax error in ALLOCATE statement at (1) >>>> In file m_tbt_gf.F90:71 >>>> >>>> allocate(listhptr(nuotot)) >>>> 1 >>>> Error: Syntax error in ALLOCATE statement at (1) >>>> In file m_tbt_gf.F90:72 >>>> >>>> allocate(numh(nuotot)) >>>> 1 >>>> Error: Syntax error in ALLOCATE statement at (1) >>>> In file m_tbt_gf.F90:73 >>>> >>>> allocate(efs(nspin)) >>>> 1 >>>> Error: Syntax error in ALLOCATE statement at (1) >>>> In file m_tbt_gf.F90:74 >>>> >>>> allocate(ix(maxnh)) >>>> 1 >>>> Error: Syntax error in ALLOCATE statement at (1) >>>> In file m_tbt_gf.F90:75 >>>> >>>> if (.not.gamma) allocate(xij(3,maxnh)) >>>> 1 >>>> Error: Syntax error in ALLOCATE statement at (1) >>>> In file m_tbt_gf.F90:54 >>>> >>>> subroutine alloc_gf_vars(H,S,xij,indxuo,listh,listhptr,numh,efs, ix, & >>>> 1 >>>> Error: Symbol 'h' at (1) has no IMPLICIT type >>>> In file m_tbt_gf.F90:54 >>>> >>>> subroutine alloc_gf_vars(H,S,xij,indxuo,listh,listhptr,numh,efs, ix, & >>>> 1 >>>> Error: Symbol 's' at (1) has no IMPLICIT type >>>> In file m_tbt_gf.F90:54 >>>> >>>> subroutine alloc_gf_vars(H,S,xij,indxuo,listh,listhptr,numh,efs, ix, & >>>> 1 >>>> Error: Symbol 'xij' at (1) has no IMPLICIT type >>>> In file m_tbt_gf.F90:54 >>>> >>>> subroutine alloc_gf_vars(H,S,xij,indxuo,listh,listhptr,numh,efs, ix, & >>>> 1 >>>> Error: Symbol 'indxuo' at (1) has no IMPLICIT type >>>> In file m_tbt_gf.F90:54 >>>> >>>> subroutine alloc_gf_vars(H,S,xij,indxuo,listh,listhptr,numh,efs, ix, & >>>> 1 >>>> Error: Symbol 'listh' at (1) has no IMPLICIT type >>>> In file m_tbt_gf.F90:54 >>>> >>>> subroutine alloc_gf_vars(H,S,xij,indxuo,listh,listhptr,numh,efs, ix, & >>>> 1 >>>> Error: Symbol 'listhptr' at (1) has no IMPLICIT type >>>> In file m_tbt_gf.F90:54 >>>> >>>> subroutine alloc_gf_vars(H,S,xij,indxuo,listh,listhptr,numh,efs, ix, & >>>> 1 >>>> Error: Symbol 'numh' at (1) has no IMPLICIT type >>>> In file m_tbt_gf.F90:54 >>>> >>>> subroutine alloc_gf_vars(H,S,xij,indxuo,listh,listhptr,numh,efs, ix, & >>>> 1 >>>> Error: Symbol 'efs' at (1) has no IMPLICIT type >>>> In file m_tbt_gf.F90:54 >>>> >>>> subroutine alloc_gf_vars(H,S,xij,indxuo,listh,listhptr,numh,efs, ix, & >>>> 1 >>>> Error: Symbol 'ix' at (1) has no IMPLICIT type >>>> In file m_tbt_gf.F90:824 >>>> >>>> call alloc_gf_vars(LH,LS,Lxij,Lindxuo,Llisth,Llisthptr,Lnumh >>>> & >>>> 1 >>>> Error: Type/rank mismatch in argument 'h' at (1) >>>> In file m_tbt_gf.F90:834 >>>> >>>> call alloc_gf_vars(RH,RS,Rxij,Rindxuo,Rlisth,Rlisthptr,Rnumh >>>> & >>>> 1 >>>> Error: Type/rank mismatch in argument 'h' at (1) >>>> make: *** [m_tbt_gf.o] Error 1 >>>> >>>> Thanks for any advices! >>>> -- >>>> Sincerely yours, >>>> Dmitry G. Kvashnin >>>> >>>> ================================================================ >>>> First year of master degree study >>>> Moscow Institute of Physics and Technology http://mipt.ru/ >>>> 141700, Institutsky lane 9, Dolgoprudny, Moscow Region, Russia >>>> >>>> Junior research scientist >>>> Emanuel Institute of Biochemical Physics http://sky1.chph.ras.ru/ >>>> 119334, 4 Kosigina St., Moscow, Russia >>>> ================================================================ >>>> >>>> >>>> >>> >> >> >> >> -- >> Sincerely yours, >> Dmitry G. Kvashnin >> >> ================================================================ >> First year of master degree study >> Moscow Institute of Physics and Technology http://mipt.ru/ >> 141700, Institutsky lane 9, Dolgoprudny, Moscow Region, Russia >> >> Junior research scientist >> Emanuel Institute of Biochemical Physics http://sky1.chph.ras.ru/ >> 119334, 4 Kosigina St., Moscow, Russia >> ================================================================ >> >> >> >
arch.make
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