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<DIV><FONT face=Arial size=2>Thanks for replay.</FONT></DIV>
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<DIV><FONT face=Arial size=2>I have update my intel fortran compiler to 8.1, and downlaod espresso2.1.2; the lam precompiled for fedora core (lam-7.0.6-2ak6.i386.rpm) and install it on my system</FONT></DIV>
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<DIV><FONT face=Arial size=2>The make.sys is<BR>===================<BR># make.sys. Generated from make.sys.in by configure.<BR>CC = mpicc<BR>CCFLAGS = -O3 -fomit-frame-pointer $(DFLAGS) $(IFLAGS)<BR># See include/defs.h.README for a list of precompilation options<BR># (possible arguments to -D or -U) and their meaning<BR>DFLAGS = -D__LINUX -D__INTEL -D__LAM -D__PARA -D__FFTW -D__USE_INTERNAL_FFTW<BR>FDFLAGS = $(DFLAGS)<BR>IFLAGS = -I. -I../include -I../Modules -I../PW -I../PH<BR>CPP = cpp<BR>CPPFLAGS = -P -traditional $(DFLAGS) $(IFLAGS)<BR>F77 =
mpif77<BR>F90 = mpiifort<BR>FFLAGS = -Vaxlib -O3 -tpp7 $(IFLAGS)<BR>F77FLAGS = $(FFLAGS)<BR>F90FLAGS = $(FFLAGS) -nomodule -fpp $(FDFLAGS)<BR>F77FLAGS_NOOPT = -O0<BR>LD = mpiifort<BR>LDFLAGS = $(LIBOBJS) $(LIBS)<BR>LIBOBJS = ../flib/ptools.a ../flib/flib.a ../clib/clib.a<BR># LIBS must contain the location of all needed external libraries<BR>LIBS = -L/opt/intel/mkl72/lib/32 -lmkl_lapack -lmkl_ia32 -lguide -L/usr/lib/lam<BR># MYLIB can be one of the following (depending on LIBS):<BR># blas : compile the local copy of blas routines<BR>#
lapack : compile the local copy of lapack routines<BR># blas_and_lapack : all of the above - use this for a quick test<BR># or if you don't have an optimized blas/lapack library<BR># lapack_ibm : compile only lapack routines not present in IBM ESSL<BR># use this together with IBM ESSL<BR># lapack_t3e : compile only lapack routines not present in T3E scilib<BR># use this together with T3E scilib<BR># lapack_mkl : compile only lapack routines not present in Intel MKL<BR># use this together with Intel MKL<BR>MYLIB = lapack_mkl<BR>AR
= ar<BR>ARFLAGS = ruv<BR>RANLIB = echo<BR>=========================================================================<BR>the result after ./makedeps.sh ;make all is:<BR>///////////////////////////////////////////<BR>make[1]: Entering directory `/home/wahab/pw2.1.2/Modules'<BR>mpiifort -Vaxlib -O3 -tpp7 -I. -I../include -I../Modules -I../PW -I../PH -nomodule -fpp -D__LINUX -D__INTEL -D__LAM -D__PARA -D__FFTW -D__USE_INTERNAL_FFTW -c io_global.f90<BR>mpiifort -Vaxlib -O3 -tpp7 -I. -I../include -I../Modules -I../PW -I../PH -nomodule -fpp -D__LINUX -D__INTEL -D__LAM -D__PARA -D__FFTW -D__USE_INTERNAL_FFTW -c kind.f90<BR>mpiifort -Vaxlib -O3 -tpp7 -I. -I../include -I../Modules -I../PW -I../PH -nomodule -fpp -D__LINUX -D__INTEL -D__LAM -D__PARA -D__FFTW -D__USE_INTERNAL_FFTW -c parameters.f90<BR>mpiifort -Vaxlib -O3 -tpp7 -I. -I../include -I../Modules -I../PW -I../PH -nomodule -fpp
-D__LINUX -D__INTEL -D__LAM -D__PARA -D__FFTW -D__USE_INTERNAL_FFTW -c atom.f90<BR>mpiifort -Vaxlib -O3 -tpp7 -I. -I../include -I../Modules -I../PW -I../PH -nomodule -fpp -D__LINUX -D__INTEL -D__LAM -D__PARA -D__FFTW -D__USE_INTERNAL_FFTW -c parallel_include.f90<BR>mpiifort -Vaxlib -O3 -tpp7 -I. -I../include -I../Modules -I../PW -I../PH -nomodule -fpp -D__LINUX -D__INTEL -D__LAM -D__PARA -D__FFTW -D__USE_INTERNAL_FFTW -c shmem_include.f90<BR>mpiifort -Vaxlib -O3 -tpp7 -I. -I../include -I../Modules -I../PW -I../PH -nomodule -fpp -D__LINUX -D__INTEL -D__LAM -D__PARA -D__FFTW -D__USE_INTERNAL_FFTW -c mp_global.f90<BR>mpiifort -Vaxlib -O3 -tpp7 -I. -I../include -I../Modules -I../PW -I../PH -nomodule -fpp -D__LINUX -D__INTEL -D__LAM -D__PARA -D__FFTW -D__USE_INTERNAL_FFTW -c mp.f90<BR>mpiifort -Vaxlib -O3 -tpp7 -I. -I../include -I../Modules -I../PW -I../PH -nomodule -fpp -D__LINUX -D__INTEL -D__LAM -D__PARA -D__FFTW -D__USE_INTERNAL_FFTW -c
recvec.f90<BR>mpiifort -Vaxlib -O3 -tpp7 -I. -I../include -I../Modules -I../PW -I../PH -nomodule -fpp -D__LINUX -D__INTEL -D__LAM -D__PARA -D__FFTW -D__USE_INTERNAL_FFTW -c stick_base.f90<BR>mpiifort -Vaxlib -O3 -tpp7 -I. -I../include -I../Modules -I../PW -I../PH -nomodule -fpp -D__LINUX -D__INTEL -D__LAM -D__PARA -D__FFTW -D__USE_INTERNAL_FFTW -c berry_phase.f90<BR>mpiifort -Vaxlib -O3 -tpp7 -I. -I../include -I../Modules -I../PW -I../PH -nomodule -fpp -D__LINUX -D__INTEL -D__LAM -D__PARA -D__FFTW -D__USE_INTERNAL_FFTW -c basic_algebra_routines.f90<BR>mpiifort -Vaxlib -O3 -tpp7 -I. -I../include -I../Modules -I../PW -I../PH -nomodule -fpp -D__LINUX -D__INTEL -D__LAM -D__PARA -D__FFTW -D__USE_INTERNAL_FFTW -c constants.f90<BR>mpiifort -Vaxlib -O3 -tpp7 -I. -I../include -I../Modules -I../PW -I../PH -nomodule -fpp -D__LINUX -D__INTEL -D__LAM -D__PARA -D__FFTW -D__USE_INTERNAL_FFTW -c io_files.f90<BR>mpiifort -Vaxlib -O3 -tpp7 -I. -I../include -I../Modules
-I../PW -I../PH -nomodule -fpp -D__LINUX -D__INTEL -D__LAM -D__PARA -D__FFTW -D__USE_INTERNAL_FFTW -c parser.f90<BR>mpiifort -Vaxlib -O3 -tpp7 -I. -I../include -I../Modules -I../PW -I../PH -nomodule -fpp -D__LINUX -D__INTEL -D__LAM -D__PARA -D__FFTW -D__USE_INTERNAL_FFTW -c bfgs_module.f90<BR>mpiifort -Vaxlib -O3 -tpp7 -I. -I../include -I../Modules -I../PW -I../PH -nomodule -fpp -D__LINUX -D__INTEL -D__LAM -D__PARA -D__FFTW -D__USE_INTERNAL_FFTW -c cell_base.f90<BR>mpiifort -Vaxlib -O3 -tpp7 -I. -I../include -I../Modules -I../PW -I../PH -nomodule -fpp -D__LINUX -D__INTEL -D__LAM -D__PARA -D__FFTW -D__USE_INTERNAL_FFTW -c check_stop.f90<BR>mpiifort -Vaxlib -O3 -tpp7 -I. -I../include -I../Modules -I../PW -I../PH -nomodule -fpp -D__LINUX -D__INTEL -D__LAM -D__PARA -D__FFTW -D__USE_INTERNAL_FFTW -c clocks.f90<BR>mpiifort -Vaxlib -O3 -tpp7 -I. -I../include -I../Modules -I../PW -I../PH -nomodule -fpp -D__LINUX -D__INTEL -D__LAM -D__PARA -D__FFTW
-D__USE_INTERNAL_FFTW -c control_flags.f90<BR>mpiifort -Vaxlib -O3 -tpp7 -I. -I../include -I../Modules -I../PW -I../PH -nomodule -fpp -D__LINUX -D__INTEL -D__LAM -D__PARA -D__FFTW -D__USE_INTERNAL_FFTW -c cp_emass.f90<BR>mpiifort -Vaxlib -O3 -tpp7 -I. -I../include -I../Modules -I../PW -I../PH -nomodule -fpp -D__LINUX -D__INTEL -D__LAM -D__PARA -D__FFTW -D__USE_INTERNAL_FFTW -c fft_types.f90<BR>mpiifort -Vaxlib -O3 -tpp7 -I. -I../include -I../Modules -I../PW -I../PH -nomodule -fpp -D__LINUX -D__INTEL -D__LAM -D__PARA -D__FFTW -D__USE_INTERNAL_FFTW -c mp_buffers.f90<BR>mpiifort -Vaxlib -O3 -tpp7 -I. -I../include -I../Modules -I../PW -I../PH -nomodule -fpp -D__LINUX -D__INTEL -D__LAM -D__PARA -D__FFTW -D__USE_INTERNAL_FFTW -c fft_base.f90<BR>fortcom: Error: fft_base.f90, line 691: This name does not have a type, and must have an explicit type. [MPI_DOUBLE_COMPLEX]<BR> call mpi_alltoallv (f_aux(1), sendcount, sdispls,
MPI_DOUBLE_COMPLEX, f_in(1), &<BR>-------------------------------------------------------^<BR>compilation aborted for fft_base.f90 (code 1)<BR>/usr/bin/mpif77: No such file or directory<BR>make[1]: *** [fft_base.o] Error 1<BR>make[1]: Leaving directory `/home/wahab/pw2.1.2/Modules'<BR>make: *** [mods] Error 2<BR>[root@cn1 pw2.1.2]#<BR>///////////////////////////////////////////</FONT></DIV>
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<DIV><FONT face=Arial size=2>I dont understand why the last line "/usr/bin/mpif77: No such file or directory" appears, when I look for mpif77 this is whats the system gives:<BR>[root@cn1 pw2.1.2]# which mpif77<BR>/usr/bin/mpif77<BR>and when trying to execute the command mpif77:<BR>[root@cn1 pw2.1.2]# mpif77<BR>/usr/lib/gcc-lib/i386-redhat-linux/3.3.2/libfrtbegin.a(frtbegin.o)(.text+0x32): In function `main':<BR>: undefined reference to `MAIN__'<BR>collect2: ld returned 1 exit status<BR>mpif77: No such file or directory<BR>What can I do to make it work?<BR>Thanks</FONT></DIV><BR><BR><B><I>Axel Kohlmeyer <axel.kohlmeyer@theochem.ruhr-uni-bochum.de></I></B> wrote:
<BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid">On Tue, 8 Feb 2005, Abdelouahab O. wrote:<BR><BR>AO> Hello<BR>AO> Thanks for your relpay;<BR>AO> This is make.sys<BR><BR>hi,<BR><BR>the current version of pwscf (or Quantum-ESPRESSO) is 2.1.2.<BR>with many new features, bugfixes and improvements.<BR><BR>if you have installed you LAM/MPI properly for the intel<BR>compilers you should be able to just use<BR><BR>CC=mpicc<BR>F77=mpif77<BR>F90=mpif90<BR><BR>alternatively you can try to use <BR>CC=env LAMHCC=icc mpicc<BR>F77=env LAMHF77=ifort mpif77<BR>F90=env LAMHF77=ifort mpif77<BR><BR>using the mpiXXX wrappers will make sure, that you include<BR>the proper headers that are matching your LAM installation.<BR><BR><BR>AO> =======================================================<BR>AO> # make.sys. Generated from make.sys.in by configure.<BR>AO> CC = gcc<BR>AO> CCFLAGS = -O3 -fomit-frame-pointer $(DFLAGS)<BR>AO>
$(IFLAGS)<BR>AO> # See include/machine.h.README for a list of<BR>AO> precompilation options<BR>AO> # (possible arguments to -D or -U) and their meaning<BR>AO> DFLAGS = -D__LINUX -D__INTEL -D__LAM -D__PARA<BR>AO> -DHAS_ZHEGVX -D__FFTW -D__USE_INTERNAL_FFTW<BR>AO> IFLAGS = -I. -I../include -I../Modules -I../PW<BR>AO> -I../PH <BR>AO> CPP = gcc -E<BR>AO> CPPFLAGS = $(DFLAGS) $(IFLAGS)<BR>AO> F77 = ifort<BR>AO> F90 = ifort<BR>AO> FFLAGS = -Vaxlib -O3 -tpp7 $(IFLAGS)<BR>AO> F77FLAGS = $(FFLAGS)<BR>AO> F90FLAGS = $(FFLAGS) -nomodule -fpp $(DFLAGS)<BR>AO> F77FLAGS_NOOPT = -O0<BR>AO> LD = ifort<BR>AO> LDFLAGS = -Vaxlib -O3 -tpp7 $(LIBOBJS) $(LIBS)<BR>AO> LIBOBJS = ../flib/ptools.a ../flib/flib.a<BR>AO> ../clib/clib.a<BR>AO> # LIBS must contain the location of all needed<BR>AO> external libraries<BR>AO> LIBS = -L/opt/intel/mkl72/lib/32<BR>AO> -lmkl_lapack -lmkl_ia32 -lguide -L/usr/lib/lam<BR>AO> # MYLIB can be one of the
following (depending on<BR>AO> LIBS):<BR>AO> # blas : compile the local copy of blas routines<BR>AO> # lapack : compile the local copy of lapack<BR>AO> routines<BR>AO> # blas_and_lapack : all of the above - use this for a<BR>AO> quick test<BR>AO> # or if you don't have an optimized<BR>AO> blas/lapack library<BR>AO> # lapack_ibm : compile only lapack routines not<BR>AO> present in IBM ESSL<BR>AO> # use this together with IBM ESSL<BR>AO> # lapack_t3e : compile only lapack routines not<BR>AO> present in T3E scilib<BR>AO> # use this together with T3E scilib<BR>AO> # lapack_mkl : compile only lapack routines not<BR>AO> present in Intel MKL<BR>AO> # use this together with Intel MKL<BR>AO> MYLIB = lapack_mkl<BR>AO> AR = ar<BR>AO> ARFLAGS = ruv<BR>AO> =======================================================<BR>AO> <BR>AO> And make all gives:<BR>AO> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<BR>AO>
make[1]: Entering directory<BR>AO> `/home1/wahab/pwscf2.0.4/pwscf/Modules'<BR><BR>[...]<BR><BR>AO> fortcom: Warning: mp_wave.f90, line 130: A dummy<BR>AO> argument with an expl<BR>AO> icit INTENT(OUT) declaration is not given an explicit<BR>AO> value. [PW]<BR>AO> SUBROUTINE splitwf ( pw, pwt, ngwl, ig_l2g,<BR>AO> mpime, nproc, root,<BR>AO> comm )<BR>AO> ...........................^<BR>AO> fortcom: Warning: mp_wave.f90, line 23: A dummy<BR>AO> argument with an expli<BR><BR>this looks like a 'feature', that only the recent intel<BR>fortran (and the DEC/Compaq) compilers choke on. this<BR>may have been fixed in the newer releases. i remember<BR>to have seen several of those with version 2.1 which<BR>are now fixed.<BR><BR>AO> -D__USE_INTERNAL_FFTW -c broadcast.f90<BR>AO> fortcom: Error: broadcast.f90, line 146: This name has<BR>AO> already been assigned a data type. <BR>AO> [MPI_DOUBLE_PRECISION]<BR>AO> INTEGER MPI_REAL4,
MPI_DOUBLE_PRECISION,<BR>AO> MPI_REAL16<BR>AO> .........................^<BR>AO> compilation aborted for broadcast.f90 (code 1)<BR>AO> make[1]: *** [broadcast.o] Error 1<BR>AO> make[1]: Leaving directory<BR>AO> `/home1/wahab/pwscf2.0.4/pwscf/PW'<BR>AO> make: *** [pw] Error 2<BR><BR><BR>i cannot reproduce this on my desktop with pwscf v2.0.4,<BR>my installation of LAM/MPI version 7.0.6 and the intel <BR>compiler version 8.1. in my distribution broadcast.f90<BR>only has 41 lines, so your error on line 146 looks <BR>very suspicious. same is for the content, 'MPI_REAL4'<BR>is only present in MPICH installations and not in LAM/MPI.<BR><BR>if you have administrator priviledge on your machine,<BR>you can download my LAM/MPI package as rpm from:<BR>http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/cpmd-linux.html#mpi<BR>these rpm are compiled special to be compatible to the intel<BR>compilers as well as g77 or the pgi compilers. you simply need <BR>to use
mpiifort/mpiicc instead of mpif77/mpicc.<BR><BR>regards,<BR>axel.<BR><BR><BR>AO> <BR>AO> --- Paolo Giannozzi <GIANNOZZ@NEST.SNS.IT>a écrit : <BR>AO> > On Sunday 06 February 2005 10:46, Abdelouahab O.<BR>AO> > wrote:<BR>AO> > <BR>AO> > > I have a pc linux cluster with ifort8.0, mkl7.2,<BR>AO> > and<BR>AO> > > LAM7.0.6: the parallel compilation cant be<BR>AO> > finilized<BR>AO> > > using the -D__LAM -D__PARA, the error apppears<BR>AO> > when<BR>AO> > > compiling broadcast.f90<BR>AO> > <BR>AO> > which error?<BR>AO> > _______________________________________________<BR>AO> > Pw_forum mailing list<BR>AO> > Pw_forum@pwscf.org<BR>AO> > http://www.democritos.it/mailman/listinfo/pw_forum<BR>AO> > <BR>AO> <BR>AO> <BR>AO> <BR>AO> <BR>AO> <BR>AO> <BR>AO> <BR>AO> Découvrez le nouveau Yahoo! Mail : 250 Mo d'espace de stockage pour vos mails ! <BR>AO>
Créez votre Yahoo! Mail sur http://fr.mail.yahoo.com/<BR>AO> _______________________________________________<BR>AO> Pw_forum mailing list<BR>AO> Pw_forum@pwscf.org<BR>AO> http://www.democritos.it/mailman/listinfo/pw_forum<BR>AO> <BR>AO> <BR><BR>-- <BR><BR>=======================================================================<BR>Dr. Axel Kohlmeyer e-mail: axel.kohlmeyer@theochem.ruhr-uni-bochum.de<BR>Lehrstuhl fuer Theoretische Chemie Phone: ++49 (0)234/32-26673<BR>Ruhr-Universitaet Bochum - NC 03/53 Fax: ++49 (0)234/32-14045<BR>D-44780 Bochum http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/<BR>=======================================================================<BR>If you make something idiot-proof, the universe creates a better idiot.<BR><BR>_______________________________________________<BR>Pw_forum mailing list<BR>Pw_forum@pwscf.org<BR>http://www.democritos.it/mailman/listinfo/pw_forum<BR></BLOCKQUOTE></DIV><p>
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