What you want to do for a problem such as this is use google (or some other search engine), then follow the path of links for an answer. A google search on blacs_gridinfo for instance will show that this is a scalapack routine (google scalapack as well if needed). This is a set of routines that you need in addition to an mpi compiler; a version of the lapack routines that works across many computers. (lapw0 does not need this, and I guess lapw2 does not as well although I have not checked in detail.) Best is an optimized library; I don't know exactly what you have so you might have to compile it yourself.
On Fri, Oct 10, 2008 at 5:50 AM, Yurko Natanzon <yurko.natanzon at gmail.com> wrote: > Dear Robert and Laurence, > Thank you for your advice, it did help. > > Now I have another question, let me post it here. I've successfully > compiled lapw0 and lapw2 in parallel, but still have problems with > lapw1 on the link stage: > > make PARALLEL='-DParallel' TYPE='REAL' TYPE_COMMENT='\!_REAL' \ > ./lapw1_mpi FORT=/opt/mpich/pgi64/ch_p4/bin/mpif90 FFLAGS=' > -Mfreeform -fast -Kieee '-DParallel'' > make[1]: Entering directory `/home/users/natanzon/dvd/wien2k/SRC_lapw1' > /opt/mpich/pgi64/ch_p4/bin/mpif90 -o ./lapw1_mpi abc.o atpar.o > bandv1.o calkpt.o cbcomb.o coors.o cputim.o dblr2k.o dgeqrl.o dgewy.o > dgewyg.o dlbrfg.o dsbein1.o dscgst.o dstebz2.o dsyevx2.o dsyr2m.o > dsyrb4.o dsyrb5l.o dsyrdt4.o dsywyv.o dsyxev4.o dvbes1.o eisps.o > errclr.o errflg.o forfhs.o gaunt1.o gaunt2.o gbass.o gtfnam.o hamilt.o > hns.o horb.o inikpt.o inilpw.o lapw1.o latgen.o lmsort.o locdef.o > lohns.o lopw.o matmm.o modules.o nn.o outerr.o outwin.o prtkpt.o > prtres.o pzheevx16.o rdswar.o rint13.o rotate.o rotdef.o seclit.o > seclr4.o seclr5.o select.o service.o setkpt.o setwar.o sphbes.o > stern.o tapewf.o ustphx.o vectf.o warpin.o wfpnt.o wfpnt1.o ylm.o > zhcgst.o zheevx2.o zher2m.o jacdavblock.o make_albl.o global2local.o > par_syrk.o my_dsygst.o refblas_dtrsm.o seclit_par.o pdsyevx17.o > pdstebz17.o -L/home/users/natanzon/acml/pgi64/lib > -L/opt/pgi/linux86-64/7.1-4/libso/ -L/opt/pgi/linux86-64/7.1-4/libso > -L/opt/mpich/pgi64/ch_p4/lib -L/home/banatanz/acml/pgi64_mp/lib -lpgmp > -lpgbind -lacml_mp -lacml_mv -lmpich > modules.o: In function `parallel_init_parallel_': > modules_tmp_.F:(.text+0x1ea): undefined reference to `sl_init_' > modules_tmp_.F:(.text+0x3b2): undefined reference to `sl_init_' > modules.o: In function `parallel_init_parallelmatrices_': > modules_tmp_.F:(.text+0x64f): undefined reference to `blacs_gridinfo_' > modules_tmp_.F:(.text+0x694): undefined reference to `descinit_' > modules_tmp_.F:(.text+0x6b3): undefined reference to `blacs_gridinfo_' > modules_tmp_.F:(.text+0x6d1): undefined reference to `numroc_' > modules_tmp_.F:(.text+0x6fe): undefined reference to `numroc_' > modules_tmp_.F:(.text+0x72b): undefined reference to `numroc_' > modules_tmp_.F:(.text+0x781): undefined reference to `descinit_' > modules_tmp_.F:(.text+0x7c6): undefined reference to `descinit_' > modules.o: In function `lapw_timer_init_all_timer_': > modules_tmp_.F:(.text+0x865): undefined reference to `slboot_' > ... > and many more error messages like this. I suppose that this is because > of lack of some libraries so I'be glad if you tell me which ones. The > important lines of the Makefile for lapw1 are the following: > FC = /opt/pgi/linux86-64/7.1-4/bin/pgf90 > MPF = /opt/mpich/pgi64/ch_p4/bin/mpif90 > CC = /opt/pgi/linux86-64/7.1-4/bin/pgcc > FOPT = -Mfreeform -fast -Kieee > FPOPT = -Mfreeform -fast -Kieee > DParallel = '-DParallel' > FGEN = $(PARALLEL) > LDFLAGS = -L/home/users/natanzon/acml/pgi64/lib > -L/opt/pgi/linux86-64/7.1-4/libso/ > R_LIBS = -L/home/users/natanzon/acml/pgi64/lib -lacml > C_LIBS = $(R_LIBS) > RP_LIBS = -L/opt/pgi/linux86-64/7.1-4/libso > -L/opt/mpich/pgi64/ch_p4/lib -L/home/banatanz/acml/pgi64_mp/lib -lpgmp > -lpgbind -lacml_mp -lacml_mv -lmpich > CP_LIBS = $(RP_LIBS) > DESTDIR = . > > with kind regards, > Yurko > > 2008/10/9 Robert Laskowski <rolask at theochem.tuwien.ac.at>: >> Hi, >> did you compiled it using mpif90 script, usually this should be set the >> enviroment for mpi during compilation. >> >> regards >> >> Robert >> >> On Wednesday 08 October 2008 17:04:37 Yurko Natanzon wrote: >>> Dear wien2k users, >>> I've successfully compiled Wien2k and now want to recompile it for >>> parallel execution. I have everything required for this (mpich, >>> scalapack). It seems, only lapw0, lapw1 and lapw2 should be >>> recompiled, yes? So, I get the errors like this: >>> >>> PGF90-S-0017-Unable to open include file: mpif.h (rean0.F: 23) >>> >>> I know where mpif.h is located but how to specify a path? I've tried >>> it in a different ways, but with no success. So i ended up in >>> modifying .f files by hand replacing the code: >>> #ifdef Parallel >>> include 'mpif.h' >>> #endif >>> by the following: >>> #ifdef Parallel >>> include '/opt/mpich/pgi64/ch_p4/include/mpif.h' >>> #endif >>> >>> It seems to work, but this is not convenient, especially if i want to >>> install updates. So, could you propose me how to do it in siteconfig? >>> My siteconfig settings for parralel execution are shown below: >>> >>> shared memory: yes >>> compiler: /opt/pgi/linux86-64/7.0/bin/pgf95 >>> RP RP_LIB(SCALAPACK+PBLAS): >>> -L/home/users/natanzon/dvd/siesta/lib-pgf -L/opt/mpich/pgi64/ch_p4/lib >>> -lblacs -lblacsF77init -lblacsCinit -lblacsF77init -lblacs -lscalapack >>> -lmpich >>> FP FPOPT(par.comp.options): -Mfreeform -fast -Kieee -Wl, >>> -R/opt/mpich/pgi64/ch_p4/include >>> >>> I have a Linux cluster with AMD Opterons, pgf compiler, mpich and ACML >>> libraries installed. >>> >>> regards, >>> Yurko >>> >> >> >> >> -- >> Dr Robert Laskowski >> >> Vienna University of Technology, >> Institute of Materials Chemistry, >> Getreidemarkt 9/165-TC, A-1060 Vienna >> >> tel. +43 1 58801 15686 >> Fax +43 1 58801 15698 >> _______________________________________________ >> Wien mailing list >> Wien at zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >> > > > > -- > Yurko (aka Yuriy, Iurii, Jurij etc) Natanzon > PhD Student > Henryk Niewodniczan`ski Institute of Nuclear Physics > Polish Academy of Sciences > ul. Radzikowskiego 152, > 31-342 Krako`w, Poland > Email: Yurii.Natanzon at ifj.edu.pl, yurko.natanzon at gmail.com > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > -- Laurence Marks Department of Materials Science and Engineering MSE Rm 2036 Cook Hall 2220 N Campus Drive Northwestern University Evanston, IL 60208, USA Tel: (847) 491-3996 Fax: (847) 491-7820 email: L-marks at northwestern dot edu Web: www.numis.northwestern.edu Chair, Commission on Electron Crystallography of IUCR www.numis.northwestern.edu/ Electron crystallography is the branch of science that uses electron scattering to study the structure of matter.