April 2010 - Comp-phys-alps-users

Problems with worms??
by Jakub Zakrzewski 27 Oct '10

27 Oct '10

Hello, Sometimes QMC worm code (used on Bose-Hubbard) terminates with the following error: here come first earlier succesful simulations then ... Created run 85 remote on Host ID: 84 Created run 86 remote on Host ID: 85 Created run 87 remote on Host ID: 86 Created run 88 remote on Host ID: 87 All processes have been assigned Checking if Simulation 1 is finished: not yet, next check in 120 seconds ( 0% done). q = -0 state1 = 0 state2 = 0 bond_type = 0 zero matrix element in remove_jump application called MPI_Abort(MPI_COMM_WORLD, -2) - process 67 Could somebody advice what I can do? Best regards Kuba

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Complex numbers
by Sebastian Greschner 23 Jul '10

23 Jul '10

Hi, when I try to define a complex Hamiltonian (e.g. some extended Heisenberg-model with Sx _and_ Sy=-I/2(Splus-Sminus) couplings to external fields) fulldiag or other ALPS-programs end with the error "can not convert complex number into real one" Is this a general restriction for ALPS, or did I miss some configuration or compile option? If not - do you know any patch or work-around to enable complex-numbers? Thanks in advance and greetings, Sebastian

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Re: [ALPS-users] BLAS/LAPACK troubles configuring ALPS 1.3.5
by Kirill Shtengel 30 Apr '10

30 Apr '10

Emanuel, Thanks a lot, but this does not seem to help. As I have mentioned in my first email, gfortran is not installed as a part of acml libraries on the cluster in question (unlike some other installations where there is a /usr/local/acml3.6.0/gfortran64 directory). On the machine I am trying to use, gfortran seems to be a part of the standard gcc installation: /usr/lib/gcc/x86_64-redhat-linux/4.1.2/libgfortran.so -> ../../../../lib64/libgfortran.so.1.0.0 Yet trying g++ -L /usr/local/acml3.6.0/gnu64/lib -L /usr/lib/gcc/x86_64-redhat- linux/4.1.2/ -lacml -lacml_mv -lgfortran test.cpp produces exactly the same output as before :-( What am I missing? Is the acml installation I am trying to use actually unusable for compiling ALPS with? Should I try installing acml libraries locally? Sorry is these questions seem dumb -- I am a novice in these matters. Best, Kirill On Thursday 29 April 2010 13:11:51 Emanuel Gull wrote: > Hi, > > this looks like you're forgetting to link gfortran. Please try > > g++ -L /usr/local/acml3.6.0/gnu64/lib -lacml -lacml_mv -lgfortran > > Emanuel > > On Apr 29, 2010, at 4:07 PM, Kirill Shtengel wrote: > > Matthias, > > > > Here is the best I seem to be able to do with your test program: > > > > [shtengel@gigio ~]$ g++ -L /usr/local/acml3.6.0/gnu64/lib -lacml > > -lacml_mv test.cpp > > /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference to > > `e_wsfi' /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference > > to `s_stop' /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined > > reference to `s_wsfe' /usr/local/acml3.6.0/gnu64/lib/libacml.so: > > undefined reference to `e_rsfi' > > /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference to `s_cmp' > > /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference to > > `e_wsfe' /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference > > to `z_abs' /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference > > to `do_lio' /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined > > reference to `s_wsle' /usr/local/acml3.6.0/gnu64/lib/libacml.so: > > undefined reference to `z_sqrt' > > /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference to `s_cat' > > /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference to > > `c_sqrt' /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference > > to `s_copy' /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined > > reference to `s_rsfi' /usr/local/acml3.6.0/gnu64/lib/libacml.so: > > undefined reference to `do_fio' > > /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference to `z_exp' > > /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference to `c_abs' > > /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference to > > `e_wsle' /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference > > to `c_exp' /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference > > to `s_wsfi' /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined > > reference to `i_indx' collect2: ld returned 1 exit status > > > > Could someone please help me with these errors? What are the libraries I > > am still missing? > > The other installation of acml/blas/lapack libraries I have mentioned in > > my previous email does not work at all: the linker reports skipping these > > libraries as incompatible (?). > > Once again, any help will be greatly appreciated! > > > > Kirill > > > > On Monday 26 April 2010 21:45:23 Matthias Troyer wrote: > >> On 27 Apr 2010, at 04:19, Kirill Shtengel wrote: > >>> Hello, > >>> > >>> I wonder if anyone can help me with configuring/compiling ALPS-1.3.5 on > >>> a Linux machine with AMD Opteron Processor. My problem seems to be > >>> making the configuration routine see either acml or blas/lapack > >>> libraries. From what I can tell, there are two separate installations > >>> of > >>> acml/blas/lapack libraries, one is the set of ACML libraries: > >> > >> ... > >> > >>> Removing references to lapack (i.e. keeping only references to blas in > >>> the configuration options makes no difference whatsoever). In either > >>> case, I am getting " LAPACK support no" at the end of the > >>> configuration process, and subsequent use of make does not compile dmrg > >>> (which is what I intend to run). > >>> Any help or suggestions will be greatly appreciated! > >> > >> Hi Kirill > >> > >> The best way to figure out how to link LAPACL/BLAS is to write a test > >> program: > >> > >> extern "C" {void dgeev_();} > >> int main() > >> { > >> dgeev_(); > >> } > >> > >> and try to compile this with the -L and -l options you mention above. > >> You'll immediately see the linker errors, which might give you hints > >> regarding libraries you need to link in addition. We can help you more > >> if you tell us what happens when you try this. > >> > >> Matthias > -- Kirill Shtengel Associate Professor Department of Physics & Astronomy UC Riverside, CA 92521 Tel: (951) 827-1058

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BLAS/LAPACK troubles configuring ALPS 1.3.5
by Kirill Shtengel 29 Apr '10

29 Apr '10

Hello, I wonder if anyone can help me with configuring/compiling ALPS-1.3.5 on a Linux machine with AMD Opteron Processor. My problem seems to be making the configuration routine see either acml or blas/lapack libraries. From what I can tell, there are two separate installations of acml/blas/lapack libraries, one is the set of ACML libraries: [shtengel@gigio ~]$ ls /usr/local/acml3.6.0/ Doc gnu64 ReleaseNotes ReleaseNotes.acml_mv util [shtengel@gigio ~]$ ls /usr/local/acml3.6.0/gnu64/lib libacml.a libacml_mv.a libacml_mv.so libacml.so [shtengel@gigio ~]$ ls /usr/local/acml3.6.0/gnu64/include/ acml.h acml_mv.h acml_mv_m128.h Notice is that there is no gfortran64 subdirectory in /usr/local/acml3.6.0/ (I can't tell if it's really needed, but someone suggested it may be.) The other set of libraries is in a PGI installation and it includes ACML, BLAS and LAPACK libraries separately: ls /usr/local/pgi-7.2-3/linux86-64/7.2-3/lib 90alt.o libjpgdbg.so libpgf90_rpm1.a libpgnod_prof.a f90main.o libjpgprof.so libpgf90_rpm1.ipl libpgnod_prof_g.a hpfalt.o liblapack.a libpgf90_rpm1_p.a libpgnod_prof_hpmpi.a hpfmain.o liblapack.ipl libpgf90rtl.a libpgnod_prof_mpi2.a hpmpif.o libmem.il libpgf90rtl.ipl libpgnod_prof_mpi.a hugebss.ld libm.ipl libpgftnrtl.a libpgnod_prof_mvapich.a initmp.o libmpich.ipl libpgftnrtl.ipl libpgnod_prof_papi.a init_pgpf.o libnspgc.a libpghpf2.a libpgnod_prof_pfo.a libacml.a libnuma.so libpghpf.a libpgnod_prof_time.a libacml.ipl libnuma.so.1 libpghpf_mpi.a libpthread.ipl libacml_mp.a libpgbind.a libpghpf_mpi_p.a libstd.a libacml_mv.a libpgbind.so libpghpf_prof.a libstdz.a libblas.a libpgc.a libpghpf_rpm1.a libzceh.a libblas.ipl libpgc.ipl libpghpf_rpm1_p.a nonuma.o libC.a libpgf902.a libpghpf_rpm.a pgfalt.o libc.ipl libpgf902.ipl libpghpf_rpm_p.a pgfi8st.o libCz.a libpgf90.a libpghpf_smp.a pgfmain.o libfmpich.ipl libpgf90.ipl libpghpf_smp_p.a pgi.ld libhugetlbfs_pgi.a libpgf90_prof.a libpgmp.a subchk.o libintrinsics.il libpgf90_prof.ipl libpgmp.ipl trace_init.o [shtengel@gigio ~]$ ls /usr/local/pgi-7.2-3/linux86-64/7.2-3/include/ acml.h byteswap.h iso_fortran_env.mod omp_lib_kinds.mod sys acml_mv.h CC lib3f.h omp_lib.mod tmmintrin.h acml_mv_m128.h curses.h limits.h pglocal.f va_list.h alloca.h emmintrin.h math.h pglocal.h varargs.h ammintrin.h error.h mmintrin.h pmmintrin.h xmmintrin.h ansidecl.h float.h ncurses.h stdarg.h argp.h intrin.h omp.h stddef.h bits iso_c_binding.mod omp_lib.h stdlib.h (Notice the absence of blas.h and lapac.h header files, acml header files are in place). Anyway, any attempts of making the ./configure routine see either those libraries fails, as far as I can tell: [shtengel@gigio ~/alps-1.3.5]$ ./configure --with-blas-dir=/usr/local/acml3.6.0/gnu64/lib --with-blas=-lacml --with-lapack-dir=/usr/local/acml3.6.0/gnu64/lib --with-lapack=-lacml --with-boost=/home/shtengel/boost_1_42_0 ...... configure: checking for BLAS Library checking for BLAS library directory... /usr/local/acml3.6.0/gnu64/lib checking for dgemm_ in -L/usr/local/acml3.6.0/gnu64/lib -lacml... no checking for dgemm_ in -L/usr/local/acml3.6.0/gnu64/lib -lsci... no checking for dgemm_ in -L/usr/local/acml3.6.0/gnu64/lib -lacml -lacml_mv - lgfortran... no checking for dgemm_ in -L/usr/local/acml3.6.0/gnu64/lib -lblas... no checking for dgemm_ in -L/usr/local/acml3.6.0/gnu64/lib -lblas -lf2c... no checking for dgemm_ in -L/usr/local/acml3.6.0/gnu64/lib -lblas -lg2c... no checking for dgemm_ in -L/usr/local/acml3.6.0/gnu64/lib -lblas -lpgftnrtl - lpgc... no checking for dgemm_ in -L/usr/local/acml3.6.0/gnu64/lib -lblas /usr/lib/libg2c.so.0.0.0... no configure: disabling BLAS support configure: disabling LAPACK support ...... [shtengel@gigio ~/alps-1.3.5]$ ./configure --with-blas-dir=/usr/local/pgi-7.2-3/linux86-64/7.2-3/lib --with-blas=-lacml --with-lapack-dir=/usr/local/pgi-7.2-3/linux86-64/7.2-3/lib --with-lapack=- lacml --with-boost=/home/shtengel/boost_1_42_0 ..... configure: checking for BLAS Library checking for BLAS library directory... /usr/local/pgi-7.2-3/linux86-64/7.2-3/lib checking for dgemm_ in -L/usr/local/pgi-7.2-3/linux86-64/7.2-3/lib -lacml... no checking for dgemm_ in -L/usr/local/pgi-7.2-3/linux86-64/7.2-3/lib -lsci... no checking for dgemm_ in -L/usr/local/pgi-7.2-3/linux86-64/7.2-3/lib -lacml - lacml_mv -lgfortran... no checking for dgemm_ in -L/usr/local/pgi-7.2-3/linux86-64/7.2-3/lib -lblas... no checking for dgemm_ in -L/usr/local/pgi-7.2-3/linux86-64/7.2-3/lib -lblas - lf2c... no checking for dgemm_ in -L/usr/local/pgi-7.2-3/linux86-64/7.2-3/lib -lblas - lg2c... no checking for dgemm_ in -L/usr/local/pgi-7.2-3/linux86-64/7.2-3/lib -lblas - lpgftnrtl -lpgc... no checking for dgemm_ in -L/usr/local/pgi-7.2-3/linux86-64/7.2-3/lib -lblas /usr/lib/libg2c.so.0.0.0... no configure: disabling BLAS support configure: disabling LAPACK support ..... And finally: [shtengel@gigio ~/alps-1.3.5]$ ./configure --with-blas-dir=/usr/local/pgi-7.2-3/linux86-64/7.2-3/lib --with-blas=-lblas --with-lapack-dir=/usr/local/pgi-7.2-3/linux86-64/7.2-3/lib --with-lapack=-llapack --with-boost=/home/shtengel/boost_1_42_0 ..... configure: checking for BLAS Library checking for BLAS library directory... /usr/local/pgi-7.2-3/linux86-64/7.2-3/lib checking for dgemm_ in -L/usr/local/pgi-7.2-3/linux86-64/7.2-3/lib -lblas... no checking for dgemm_ in -L/usr/local/pgi-7.2-3/linux86-64/7.2-3/lib -lsci... no checking for dgemm_ in -L/usr/local/pgi-7.2-3/linux86-64/7.2-3/lib -lacml - lacml_mv -lgfortran... no checking for dgemm_ in -L/usr/local/pgi-7.2-3/linux86-64/7.2-3/lib -lblas... no checking for dgemm_ in -L/usr/local/pgi-7.2-3/linux86-64/7.2-3/lib -lblas - lf2c... no checking for dgemm_ in -L/usr/local/pgi-7.2-3/linux86-64/7.2-3/lib -lblas - lg2c... no checking for dgemm_ in -L/usr/local/pgi-7.2-3/linux86-64/7.2-3/lib -lblas - lpgftnrtl -lpgc... no checking for dgemm_ in -L/usr/local/pgi-7.2-3/linux86-64/7.2-3/lib -lblas /usr/lib/libg2c.so.0.0.0... no configure: disabling BLAS support configure: disabling LAPACK support ..... Removing references to lapack (i.e. keeping only references to blas in the configuration options makes no difference whatsoever). In either case, I am getting " LAPACK support no" at the end of the configuration process, and subsequent use of make does not compile dmrg (which is what I intend to run). Any help or suggestions will be greatly appreciated! Kirill -- Kirill Shtengel Associate Professor Department of Physics & Astronomy UC Riverside, CA 92521 Tel: (951) 827-1058

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Announcement: CECAM/ESF/MaNEP summer school on simulations of strongly correlated systems
by Matthias Troyer 25 Apr '10

25 Apr '10

Dear colleagues, I want to draw your attention to a summer school / tutorial on the simulation of strongly correlated quantum systems to be held September 13-17, 2010 at ETH Zurich. The school will consist of lectures on methods in the morning, followed by an experimental talk in the afternoon and hands-on tutorials with the forthcoming release 2.0 of the ALPS simulation package. Confirmed speakers include A. Laeuchli (MPI Dresden) U. Schollwoeck (LMU Munich) S. Trebst (Microsoft) M. Troyer (ETH) P. Werner (ETH) We have secured funding for local expenses (housing and meals) of all admitted participants from CECAM, Intelbiomat and the Swiss NCCR MaNEP. For details and to register please see the web page http://www.cecam.org/workshop-473.html Please forward this announcement to any interested PhD student and postdoc. Best regards Matthias Troyer

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Lanczos
by Sebastian Huber 22 Apr '10

22 Apr '10

I made use of the sparsediag 1.1 application part of alps-applications 1.3.4. The maximal interations for the eigenvalues MAX_ITERATIONS can be set in the parameter file. For the calculation of the eigenvectors (correlations) this parameter is not adjustable outside the source code (set to 10). I had to fix this for my purposes. I am sure the way I implemented it is not up to the standards, but it maybe interesting to note neverthless. Sebastian -- Sebastian Huber Department of Condensed Matter Physics The Weizmann Institute of Science 76100 Rehovot Web: http://www.weizmann.ac.il/~huber Tel: +972 8 934 4258

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ALPS user OS survey
by Matthias Troyer 15 Apr '10

15 Apr '10

Dear ALPS users, To prepare for version 2.0 of ALPS we want to conduct a survey of operating systems used by ALPS users. ALPS 2.0 will support all OSs supported by ALPS 1.3 and in addition also Windows and the Cray XT 5. Please follow this link: http://doodle.ethz.ch/hhbvg8ixvpi8kuaa and fill in the short survey. Thanks in advance Matthias Troyer

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Winding numbers
by "Michał Maik" 13 Apr '10

13 Apr '10

Hi, I am having a problem calculating the "Winding Number vs Energy" graph for certain models. When I do it for the "4-site mixed" I am not able to get it to work but if I use a "square lattice" with L=2 it seems to work fine. I am wondering how I have to define a model in order to calculate the winding numbers. Regards Michal Maik

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