[FreeON-devel] problem of compiling Modules/LinAlg.F90 using mpif90 (backend compiler ifort)

[Gao Bin]

Dear Sirs,

Recently, I planed to use FreeON to calculate some large molecules. Before that, I guess it might be better I have a MPI version of FreeON. I downloaded the latest version freeon-beta-2012-05-03, and using internal HDF5 library and MKL BLAS/LAPACK libraries. It however failed when compiling Modules/LinAlg.F90 as shown in the following. Moreover, I have changed "SymbolikMM(A,B,C,UpDate)" to "SymbolikMM(A,B,C,Flag,UpDate)", "NumerikMM(A,B,BMTrix,C,1,1,1,Perf_O)" to "NumerikMM(A,B,BMTrix,C,1,1,1,Flag,Perf_O)", but I then got the same error (no matching specific subroutine) for "CALL SetEq(Flag,0)", "CALL New(Flag,NAtoms)", "CALL Delete(Flag)". Could you please have a look and give me some suggestions about how to fix it? Thank you so much.

Cheers

Gao

The error when compiling Modules/LinAlg.F90:

    /bin/sh ../libtool  --tag=FC --silent  --mode=compile mpif90 -DHAVE_CONFIG_H -I. -I..  -I../hdf5-1.8.3/src  -g -O3 -no-prec-div -fpe0 -xHost -I. -I../Modules -I. -I..  -I./MMA/LookUpTables -I./MMA/Functionals -I./MMA/PAC   -c -o LinAlg.lo LinAlg.F90
LinAlg.F90(861): warning #8093: A do-variable within a DO body shall not appear in a variable definition context.   [N]
        RecvPrior%I(K)=RecvStruct(N,A,B,U(N))
----------------------------------^
LinAlg.F90(862): warning #8093: A do-variable within a DO body shall not appear in a variable definition context.   [N]
        SendPrior%I(K)=SendStruct(N,A,B,V(N))
----------------------------------^
LinAlg.F90(999): error #6285: There is no matching specific subroutine for this generic subroutine call.   [SYMBOLIKMM]
    CALL SymbolikMM(A,B,C,UpDate) ! Local
---------^
LinAlg.F90(1003): error #6285: There is no matching specific subroutine for this generic subroutine call.   [SYMBOLIKMM]
        CALL SymbolikMM(A,U(From),C,.TRUE.) ! Non-local
-------------^
LinAlg.F90(1027): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
      CALL NumerikMM(A,B,BMTrix,C,1,1,1,Perf_O)
-----------^
LinAlg.F90(1029): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
      CALL NumerikMM(A,B,BMTrix,C,1,1,1,Perf_O)
-----------^
LinAlg.F90(1030): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
      CALL NumerikMM(A,B,BMTrix,C,1,2,2,Perf_O)
-----------^
LinAlg.F90(1032): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
      CALL NumerikMM(A,B,BMTrix,C,1,1,1,Perf_O)
-----------^
LinAlg.F90(1033): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
      CALL NumerikMM(A,B,BMTrix,C,2,1,2,Perf_O)
-----------^
LinAlg.F90(1035): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
      CALL NumerikMM(A,B,BMTrix,C,1,1,1,Perf_O)
-----------^
LinAlg.F90(1036): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
      CALL NumerikMM(A,B,BMTrix,C,2,2,2,Perf_O)
-----------^
LinAlg.F90(1038): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
      CALL NumerikMM(A,B,BMTrix,C,1,1,1,Perf_O)
-----------^
LinAlg.F90(1039): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
      CALL NumerikMM(A,B,BMTrix,C,1,2,2,Perf_O)
-----------^
LinAlg.F90(1040): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
      CALL NumerikMM(A,B,BMTrix,C,1,3,3,Perf_O)
-----------^
LinAlg.F90(1041): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
      CALL NumerikMM(A,B,BMTrix,C,1,4,4,Perf_O)
-----------^
LinAlg.F90(1043): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
      CALL NumerikMM(A,B,BMTrix,C,1,1,1,Perf_O)
-----------^
LinAlg.F90(1044): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
      CALL NumerikMM(A,B,BMTrix,C,2,1,2,Perf_O)
-----------^
LinAlg.F90(1045): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
      CALL NumerikMM(A,B,BMTrix,C,3,1,3,Perf_O)
-----------^
LinAlg.F90(1046): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
      CALL NumerikMM(A,B,BMTrix,C,4,1,4,Perf_O)
-----------^
LinAlg.F90(1048): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
      CALL NumerikMM(A,B,BMTrix,C,1,1,1,Perf_O)
-----------^
LinAlg.F90(1049): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
      CALL NumerikMM(A,B,BMTrix,C,2,3,1,Perf_O)
-----------^
LinAlg.F90(1050): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
      CALL NumerikMM(A,B,BMTrix,C,1,2,2,Perf_O)
-----------^
LinAlg.F90(1051): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
      CALL NumerikMM(A,B,BMTrix,C,2,4,2,Perf_O)
-----------^
LinAlg.F90(1052): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
      CALL NumerikMM(A,B,BMTrix,C,3,1,3,Perf_O)
-----------^
LinAlg.F90(1053): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
      CALL NumerikMM(A,B,BMTrix,C,4,3,3,Perf_O)
-----------^
LinAlg.F90(1054): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
      CALL NumerikMM(A,B,BMTrix,C,3,2,4,Perf_O)
-----------^
LinAlg.F90(1055): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
      CALL NumerikMM(A,B,BMTrix,C,4,4,4,Perf_O)
-----------^
LinAlg.F90(1100): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
          CALL NumerikMM(A,U(From),UMTrix(Q:),C,1,1,1,Perf_O)
---------------^
LinAlg.F90(1102): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
          CALL NumerikMM(A,U(From),UMTrix(Q:),C,1,1,1,Perf_O)
---------------^
LinAlg.F90(1103): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
          CALL NumerikMM(A,U(From),UMTrix(Q:),C,1,2,2,Perf_O)
---------------^
LinAlg.F90(1105): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
          CALL NumerikMM(A,U(From),UMTrix(Q:),C,1,1,1,Perf_O)
---------------^
LinAlg.F90(1106): error #6285: There is no matching specific subroutine for this generic subroutine call.   [NUMERIKMM]
          CALL NumerikMM(A,U(From),UMTrix(Q:),C,2,1,2,Perf_O)
---------------^
/tmp/ifort3Msqv9.i90(3820): catastrophic error: Too many errors, exiting
compilation aborted for LinAlg.F90 (code 1)
make[2]: *** [LinAlg.lo] Error 1
make[2]: Leaving directory `/home/gaobin/freeon-beta-2012-05-03/Modules'
make[1]: *** [all-recursive] Error 1
make[1]: Leaving directory `/home/gaobin/freeon-beta-2012-05-03'
make: *** [all] Error 2