ABINIT Discussion Forums

of course...

sorry for my "inaccuracy"...

jmb

Hi,

how can I become a super user?

Ask to the administrator of your computer...

jmb

Hi,

if you are a super user ( sudo user ), you can try to prefix all commands by sudo command like :



and you can use your password

jmb

Hi,

already done in 7.4.2 production version
problem detected with MPICH 3.x
we have replaced mpi_comm by mpicomm

jmb

Hi, with these soft versions : intel 12.1.4 + mkl 10.3 openmpi 1.6.4 and with this ac file enable_mpi="yes" enable_mpi_io="yes" with_mpi_prefix="/home/naps/buildbot/openmpi_intel" with_trio_flavor="etsf_io+netcdf" with_dft_flavor="atompaw+bigdft+libxc+wan...

Hi,

the Update functionnality is not used...

then , I "resolve" the problem by remove the form...

Anyway, thank you for reporting the problem

Hi,

an error "ssh: Could not resolve hostname.........." .

this is not a abinit problem...

and i learn an important thing about failures, " Failures help us to learn more about what we are doing"

+1 or like

jmb

Hi,

the compiler intel 11.x is no longer supported for abinit 7.4 ( like gcc 4.1, gcc 4.2, gcc 4.3, pgi >= 8.x, ... )

you can use intel 13.0.1 or >= 13.1.2

regards

jmb

Hi, -----------------------------------------------^ applypot.F90(431): error #6478: A type-name must not be used as a variable. [MPI_COMM] MPI_double_precision,mpi_comm,ierr) -----------------------------------------------^ compilation aborted for applypot.F90 (code 1) ha ! I remember : this proble...

Hi, some questions and suggestions... - which version of mpich2 ? - minimum intel version usable is 13.0.1 or >= 13.1.2 - "--with_trio_flavor = netcdf+etsf_io" is mandatory - try first : --with-linalg-flavor=”mkl” I made a test with mpich2 1.5 , intel 12.1.4 and this build.ac : enable_gw_d...

Hi, first of all, scalapack is not yet officially supported... we have not yet tested intel 12 compiler under opensuse, but we have a nightly bot that tests a configuration with "native" packages of opensuse 12.1 packages : fftw3, openmpi 1.4.3, gfortran 4.6.2, netcdf 4 and my build.ac fil...

Hi Is there any command to run abinit in a smp machine with several cores without parallel configuration? yes, you can use OpenMP this is a example of .ac file with gfortran 4.6 : enable_mpi = no enable_mpi_io = no with_dft_flavor = none FC_LDFLAGS_EXTRA = -fopenmp FCFLAGS_EXTRA = -fopenmp enable_op...

Hi Serge, your fftw3 package seems not support float for example, on ubuntu, there are the float(single) ( libfftw3f.a ) and real ( libfftw3.a) libraries : then the ac file contains : with_fft_flavor = fftw3 with_fft_incs = -I/usr/include/ with_fft_libs = -L/usr/lib64 -lfftw3 -lfftw3f you must compi...

Hi ,

I don't if it's the solution but I use


with_linalg_libs = -L/usr/local/magma_gcc46_mkl/lib -Wl,--start-group -lmagma -lmagmablas -lcuda -Wl,--end-group -L/opt/intel/Composer/mkl -lmkl_scalapack_lp64 -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_openmpi_lp64 -lpthread -lm


jmb

Hi,

if tests_acc is OK , no need to make tests_gw : it's a subset of tests_acc
"tests_bench" script is no more tested and it's perhaps broken

jmb

Hi gryko, this is my ac file for open64 (4.2.5.2) with openmpi enable_64bit_flags = yes enable_gw_dpc = yes enable_debug = no # problem with 79_seqpar_mpi/lobpcgwf.F90 ( compiler bug ) fcflags_opt_79_seqpar_mpi = -O0 -m64 -align64 enable_mpi = yes enable_mpi_io = no with_mpi_prefix = /usr/local/open...

Hi,

how did you compiled/installed magma ?

what the folder /opt/magma/lib contains ?

by the way, why do you set to "yes" :


jmb

Hi Christian,

very strange that there is some xrong with fallbacks...

without DFT an d TRIO, and using mkl, nothing must be build under fallbacks

what is the output of the configure ?

I have the same kind of ac file but with DFT and TRIO, an d everything is working

jmb

Hi,

this is resolved by changing all mpi_com by mpicom ( mpi_ is "reserved" for MPI ) in the applypot.F90 and accrho.F90 files ( corrected in 7.3.2 )

no more needed "--with-mpi-level=1"

jmb

Hi, I try also with intel 13.1.1 and openmpi 1.6.4 and I have the same problem ( "catastrophic error: **Internal compiler error: internal abort**" ) ! it seems that the compiler has problem to compile "src/66_wfs/prep_fourwf.F90" with -O3 optimization with -O1 , it works ! this i...

Hi, * Now FFTW3 wrappers can be used with MPI (and MPI+opemMP) Introduction of fftalg 314 LOBPCG algorithm can now use fftalg=31X (e.g. 312 or 314) (FFTW3+MPI) in addition to fftalg=40X By F. Dahm and M. Torrent So my second question is whether that solves the problem Alain mentioned for previous ve...

Hi, 2 little remarks : 1) if you use : --enable-mpi="yes" , it's better to use '--with-mpi-prefix' to point to your openmpi installation for ex : --with-mpi-prefix="/usr/local/openmpi" , then, no needed to use CC and/or FC 2) if you use : --with-FFT-flavor="fftw3" , you...

Hi this is my recipe ( build.ac file ) to use fftw3 from mkl.11 with intel 12.1.4 ( config use nightly with our abinit test farm : http://www.abinit.org/developers/dev-environment/buildbot/buildbot-builder-matrix ) enable_gw_dpc = yes enable_mpi = yes enable_mpi_io = yes with_mpi_prefix = /usr/local...

HI,

can you try with :



see the post :http://forum.abinit.org/viewtopic.php?f=3&t=1990

jmb

Hi Evren, I quickly installed mpich3.0.3/gcc4.7.2 under CentOS 6.3 I compiled 7.2.1 with all fallbacks without problem I run the tests fast and parallel : no error this is my build.ac ( use : ./configure --with-config-file=./build.ac ) enable_gw_dpc = yes enable_mpi = yes enable_mpi_io = yes enable_...