Please, ignore my last report! I should report that the problem, reported below, was not due to the?l_cprof_p_11.1.073_intel64. It was due to my used mpich version. Indeed, Although I had installed?mpich-1.2.7p1,?my used mpich was another mpich and not?mpich-1.2.7p1.?I reinstalled the fftw3 enabling?mpich-1.2.7p1, and reinstalled the code successfully with??l_cprof_p_11.1.073_intel64, mpif90 of mpich-1.2.7p1, fftw-3.3.3 and -DFFTW3 on an AMD system as well.?
From: Saeid Jalali <s_jalal...@yahoo.com> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> Sent: Thursday, July 26, 2012 5:53 PM Subject: Re: [Wien] SRC_lapw0/compile.msg in WIEN2k_12.1 In addition to composerxe-2011.2.137, I tried to compile the latest version of the code using l_cprof_p_11.1.073_intel64. The code is successfully comiled?using?l_cprof_p_11.1.073_intel64, mpich-1.2.7p1, fftw-2.1.5 and -DFFTW2.?But, there are several errors when I use??l_cprof_p_11.1.073_intel64, mpich-1.2.7p1, fftw-3.3.3 and -DFFTW3. This is in the case that there is not such a problem when I use composerxe-2011.2.137, mpich-1.2.7p1, fftw-3.3.3 and -DFFTW3. ? >Hi Peter, >Thank you for your comments. >Yes, I installed the latest version of the fftw, fftw-3.3.2, and compiled >successfully the WINE2k_12.1 using the ->DFFTW3 too by giving the right path: >RP ?RP_LIB(SCALAPACK+PBLAS): -lmkl_scalapack_lp64 -lmkl_solver_lp64 >-lmkl_blacs_lp64 ->L/opt/local/fftw3/lib -lfftw3_mpi -lfftw3 $(R_LIBS) ?? ? ? ________________________________ From: Peter Blaha <pblaha at theochem.tuwien.ac.at> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> Sent: Thursday, July 26, 2012 12:26 PM Subject: Re: [Wien] SRC_lapw0/compile.msg in WIEN2k_12.1 Or by putting the correct path and library-names into the R_LIBS field: ? ? ? -L/opt/local/fftw/lib/? ? ? ? ? -lfftw_mpi? -lfftw --->? -L/path-where-fftw3-is-installed -lfftw3_mpi -lfftw3 PS: For best performance on Intel-systems in sequential mode, see the comment in the UG? Chapter 11.1.1 about the mkl interface to fftw2xf? (or fftw3xf) Am 25.07.2012 17:42, schrieb Saeid Jalali: > Hi Laurence, > Thank you for your prompt reply. > The problem is fixed by changing the -DFFTW3 to -DFFTW2! > How did you find that? ? From: Laurence Marks <l-ma...@northwestern.edu> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> Sent: Wednesday, July 25, 2012 8:14 PM Subject: Re: [Wien] SRC_lapw0/compile.msg in WIEN2k_12.1 It is in the userguide/release notes On Wed, Jul 25, 2012 at 10:42 AM, Saeid Jalali <s_jalali_a at yahoo.com> wrote: > Hi Laurence, > Thank you for your prompt reply. > The problem is fixed by changing the -DFFTW3 to -DFFTW2! > How did you find that? > > Sincerely yours, > S. Jalali > /_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/ > Saeid Jalali Asadabadi, > Department of Physics, Faculty of Science, > University of Isfahan (UI), Hezar Gerib Avenue, > 81744 Isfahan, Iran. > Phones: > Dep. of Phys.? :+98-0311-793 2435 > Office? ? ? ? ? ? ? :+98-0311-793 4776 > Fax No.? ? ? ? ? ? :+98-0311-793 4800 > E-mail? ? ? ? ? ? ? :sjalali at phys.ui.ac.ir >? ? ? ? ? ? ? ? ? ? ? ? ? :sjalali at sci.ui.ac.ir >? ? ? ? ? ? ? ? ? ? ? ? ? :sjalali at mailaps.org >? ? ? ? ? ? ? ? ? ? ? ? ? :saeid.jalali.asadabadi at gmail.com >? ? ? ? ? ? ? ? ? ? ? ? ? :s_jalali_a at yahoo.com > Homepage? ? ? ? :http://sci.ui.ac.ir/~sjalali > www? ? ? ? ? ? ? ? ? :http://www.ui.ac.ir > /_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/ > > ________________________________ > From: Laurence Marks <L-marks at northwestern.edu> > To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> > Sent: Wednesday, July 25, 2012 7:52 PM > Subject: Re: [Wien] SRC_lapw0/compile.msg in WIEN2k_12.1 > > Did you use -DFFTW2 in the parallel compile options? The first time > around I forgot, but when I added this there were no problems. > > On Wed, Jul 25, 2012 at 10:19 AM, Saeid Jalali <s_jalali_a at yahoo.com> > wrote: >> Hi Peter, >> I compiled the new version of the code, WIEN2k_12.1, using mpich-1.2.7p1, >> fftw-2.1.5, intel composerxe-2011.2.137. >> I got the following error, as can be seen at the end of the >> SRC_lapw0/compile.msg file which is attached to this email, ONLY in the >> lapw0: >> fft_modules.o: In function `fftw_parallel_mp_prepare_parallel_ffts_': >> fft_modules.F:(.text+0x43): undefined reference to `fftw_mpi_init' >> fft_modules.F:(.text+0xfe): undefined reference to >> `fftw_mpi_local_size_3d_f03' >> fft_modules.F:(.text+0x10f): undefined reference to `fftw_alloc_complex' >> fft_modules.o: In function `fftw_parallel_mp_c3fft_': >> fft_modules.F:(.text+0xcf0): undefined reference to `fftw_mpi_execute_dft' >> fft_modules.F:(.text+0x198b): undefined reference to >> `fftw_mpi_execute_dft' >> fft_modules.F:(.text+0x3639): undefined reference to >> `fftw_mpi_plan_dft_3d_f03' >> fft_modules.F:(.text+0x42e9): undefined reference to >> `fftw_mpi_plan_dft_3d_f03' >> make[1]: *** [lapw0_mpi] Error 1 >> make[1]: Leaving directory `/usr/local/codes/wien2k/v12.1/SRC_lapw0' >> make: *** [para] Error 2 >> >> The SRC_x/compile.msg files are free of any errors apart from x=lapw0. >> There are no such errors in the WIEN2k_11.1. The lapw0 of the WIEN2k_11.1 >> is >> compiled and the whole of the code works smoothly. >> Is something changed in the lapw0 of the new version so that we must >> consider additional tasks for compiling the mpi version of the code? _______________________________________________ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120726/f4083f04/attachment.htm>
