[Wien] Wien2k Compilation on AMD Dual OpertonunderSuse9.2-64bit
Nicholas Dimakis
dimakis at husky.panam.edu
Fri Oct 20 01:14:44 CEST 2006
Hi
Is Mpiifort a free compiler like ifort ?
Thanks
Nikolaos Dimakis
Assistant Professor
Physics and Geology
University of Texas-Pan American
-----Original Message-----
From: wien-bounces at zeus.theochem.tuwien.ac.at on behalf of Michael Gurnett
Sent: Thu 10/19/2006 2:01 PM
To: A Mailing list for WIEN2k users
Subject: Re: [Wien] Wien2k Compilation on AMD Dual Operton under Suse9.2-64bit
Your trying to compile with mpirun, you should be using mpiifort or
similar (this is the intel version).
My options for the conroe are as follows
current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -axT -DINTEL_VML
current:FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
current:LDFLAGS:$(FOPT) -L/opt/intel/cmkl/8.1.1/lib/em64t -i-static
-lguide_stats -lsvml -lpthread
current:DPARALLEL:'-DParallel'
current:R_LIBS:-L/opt/intel/cmkl/8.1.1/lib/em64t -lmkl_lapack64
-lmkl_em64t -lguide -lguide_stats -lpthread
current:RP_LIBS:-L/opt/intel/cmkl/8.1.1/lib/em64t -lmkl_scalapack
-lmkl_blacs_intelmpi20
Hope this helps
Michael
On Thu, 2006-10-19 at 12:07 -0500, Nicholas Dimakis wrote:
> Hello
>
> I was able to solve the problem with the 32 bit/64 bit compiler issue by using the 64 bit ifort and the following options
>
>
> Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
> L Linker Flags: $(FOPT) -L/opt/intel/mkl80/lib/em64t -lpthread
> P Preprocessor flags '-DParallel'
> R R_LIB (LAPACK+BLAS): -lmkl_lapack64 -lmkl_em64t -lguide
>
>
> However I still have problems on MPI. My setting are
>
>
>
> RP RP_LIB(SCALAPACK+PBLAS): -L /usr/local/SCALAPACK -L /usr/local/BLACS/LIB -lpblas -lredist -ltools -lscalapack -lfblacs -lblacs -lmpi
> FP FPOPT(par.comp.options): -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
> MP MPIRUN commando : mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
>
>
> Then I am trying to compile lapw0 and I get
>
> make PARALLEL='-DParallel' lapw0_mpi \
> FORT=mpirun FFLAGS=' -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML '-DParallel''
> make[1]: Entering directory `/home/user1/Wien2k/SRC_lapw0'
> mpirun -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -DParallel -c modules.F
> Warning: Command line arguments for program should be given
> after the program name. Assuming that -mp1 is a
> command line argument for the program.
> Warning: Command line arguments for program should be given
> after the program name. Assuming that -w is a
> command line argument for the program.
> Warning: Command line arguments for program should be given
> after the program name. Assuming that -prec_div is a
> command line argument for the program.
> Warning: Command line arguments for program should be given
> after the program name. Assuming that -pc80 is a
> command line argument for the program.
> Warning: Command line arguments for program should be given
> after the program name. Assuming that -pad is a
> command line argument for the program.
> Warning: Command line arguments for program should be given
> after the program name. Assuming that -ip is a
> command line argument for the program.
> Warning: Command line arguments for program should be given
> after the program name. Assuming that -DINTEL_VML is a
> command line argument for the program.
> Warning: Command line arguments for program should be given
> after the program name. Assuming that -DParallel is a
> command line argument for the program.
> Warning: Command line arguments for program should be given
> after the program name. Assuming that -c is a
> command line argument for the program.
> Warning: Command line arguments for program should be given
> after the program name. Assuming that modules.F is a
> command line argument for the program.
> Missing: program name
> Program -FR either does not exist, is not
> executable, or is an erroneous argument to mpirun.
> make[1]: *** [modules.o] Error 1
> make[1]: Leaving directory `/home/user1/Wien2k/SRC_lapw0'
> make: *** [para] Error 2
>
>
> Thanks for your help
>
>
>
>
> Nikolaos Dimakis
> Assistant Professor
> Physics and Geology
> University of Texas-Pan American
>
>
>
> -----Original Message-----
> From: wien-bounces at zeus.theochem.tuwien.ac.at on behalf of Michael Gurnett
> Sent: Tue 10/17/2006 12:46 PM
> To: A Mailing list for WIEN2k users
> Subject: Re: [Wien] Wien2k Compilation on AMD Dual Operton under Suse 9.2-64 bit
>
> Seems to me your trying to compile 32bit code on a 64 bit machine
>
> Michael
>
> On Tue, 2006-10-17 at 11:54 -0500, Nicholas Dimakis wrote:
> > Hello
> >
> > I am new to Wien2k and I have problems on compiling the source code
> > for a dual AMD Opteron system under Suse 9.2
> >
> > Compiler is intel ifort9, mkl is installed under /opt/intel
> >
> > Compiler options: -FR -mp -w
> > Linker Flags: $(FOPT) -L/opt/intel/mkl80/lib/32 -static
> > Preprocessor flags '-DParallel'
> > R_LIB (LAPACK+BLAS): -lmkl_lapack -lmkl_ia32 -lguide -lpthread
> >
> > I used this info from a previous message on AMD Athlon Wien2k
> > installation.
> >
> > I get:
> >
> > ld: warning: i386:x86-64 architecture of input file `cputim.o' is
> > incompatible with i386 output
> >
> > and I get an error as
> >
> > ifort -o lapw0 cputim.o modules.o reallocate.o ainv.o blyp.o
> > charg2.o charg3.o charge.o chfac.o chslv.o corgga.ocub_xc_back.o
> > corlsd.o dlu.o drho.o dfxhpbe.o dylm.o efg.o energy.o errclr.o
> > errflg.o ev92.o ev92ex.o exch.o exch17.o exrevpbe.o fithi.o
> > fxhpbe.o gbass.o gcor.o gea.o geaex.o getfft.o getff1.o gpoint.o
> > grans.o gtfnam.o hcth.o ifflim.o kcis.o lapw0.o latgen.o multfc.o
> > multsu.o outerr.o pbe1.o poissn.o potfac.o pwxad4.o pwxad5.o qranf.o
> > readstruct.o rean0.o rean1.o rean3.o rean4.o rotate.o rotdef.o
> > setff0.o setff1.o setfft.o setff2.o seval.osevald.o sevaldd.o
> > sevali.o sevalin.o sicpbe.o sphbes.o spline.o srolyl.o stern.o
> > sumfac.o suml.o th1.o th2.o vpw91.o vresp.o vs98.o vxc15.o vxc16.o
> > vxc17.o vxc24.o vxc26.o vxclm2.o vxcpw2.o vxi35.o vxi35a.o workf1.o
> > xcener.o xcpot.o xcpot1.o xcpot3.o ykav.o ylm.o zfft3d.o
> > sicpbe_tpss.o corpbe_tpss.o fx_tpss.o dfxtpss.o rhopw.o b88.o wc05.o
> > -FR -mp -w -L/opt/intel/mkl80/lib/32 -static
> > ld: warning: i386:x86-64 architecture of input file `cputim.o' is
> > incompatible with i386 output
> > make[1]: Leaving directory `/home/user1/Wien2k/SRC_lapw0'
> > make: *** No rule to make target `complex'. Stop.
> > if [ -f .sequential ]; then \
> > rm -f .sequential modules.o reallocate.o energy.o gtfnam.o
> > lapw0.o *.mod; \
> > fi
> > touch .parallel
> > make PARALLEL='-DParallel' lapw0_mpi \
> > FORT=ifort FFLAGS=' -FR -mp1 -w -prec_div -pc80 -pad -ip
> > -DINTEL_VML '-DParallel''
> > make[1]: Entering directory `/home/user1/Wien2k/SRC_lapw0'
> > ifort -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -DParallel -c
> > modules.F
> > fortcom: Error: modules.F, line 19: Cannot open include file
> > 'mpif.h'
> > INCLUDE 'mpif.h'
> > ------------^
> > fortcom: Error: modules.F, line 42: Cannot open include file
> > 'mpif.h'
> > INCLUDE 'mpif.h'
> > ------------^
> > fortcom: Error: modules.F, line 20: This name does not have a type,
> > and must have an explicit type. [MPI_STATUS_SIZE]
> > ALLOCATE(statusmpi(MPI_STATUS_SIZE))
> > -----------------------^
> > fortcom: Error: modules.F, line 20: The highest data type rank
> > permitted is INTEGER(KIND=8). [MPI_STATUS_SIZE]
> > ALLOCATE(statusmpi(MPI_STATUS_SIZE))
> > -----------------------^
> > fortcom: Error: modules.F, line 22: This name does not have a type,
> > and must have an explicit type. [MPI_SUCCESS]
> > IF(ierr.NE.MPI_SUCCESS) THEN
> > ---------------^
> > fortcom: Error: modules.F, line 26: This name does not have a type,
> > and must have an explicit type. [MPI_COMM_WORLD]
> > CALL MPI_COMM_SIZE( MPI_COMM_WORLD, npe, ierr)
> > ------------------------^
> > fortcom: Error: modules.F, line 44: This name does not have a type,
> > and must have an explicit type. [MPI_UNDEFINED]
> > icolor1=MPI_UNDEFINED
> > ------------^
> > compilation aborted for modules.F (code 1)
> >
> >
> > Thank you for your help
> >
> >
> >
> > Nikolaos Dimakis
> > Assistant Professor
> > Physics and Geology
> > University of Texas-Pan American
> >
> >
> >
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
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