Search found 346 matches

by jbeuken
Tue Aug 16, 2011 8:57 pm
Forum: Platform specific questions
Topic: checking if Fortran "real" is C "float"... configure: error
Replies: 10
Views: 4337

Re: checking if Fortran "real" is C "float"... configure: er

Hello Anna, little problem in your configure command : use "--with-netcdf-incs="-I/opt/local/include" ( with 's' in "incs" ) nothing stange in the env or in the config.log /var/folders/bl/8wb0ry9x00g8k6v3l9z293r80000gp/T//ccutkXba.s:39:no such instruction: `vmovsd 8(%rdi), %...
by jbeuken
Mon Aug 15, 2011 8:54 pm
Forum: Platform specific questions
Topic: checking if Fortran "real" is C "float"... configure: error
Replies: 10
Views: 4337

Re: checking if Fortran "real" is C "float"... configure: er

Hello Anna,

some questions to clear the problem :

which version of abinit ?
which configure command are you using ?

can you send me the config.log ?
can you send me the results of these commands :

Code: Select all

env
gcc --version
gfortran --version


jmb
by jbeuken
Sun Aug 14, 2011 8:46 pm
Forum: Platform specific questions
Topic: checking if Fortran "real" is C "float"... configure: error
Replies: 10
Views: 4337

Re: checking if Fortran "real" is C "float"... configure: er

Hello, I am getting the following error while netCDF is configuring: checking if Fortran "real" is C "float"... configure: error: Could not compile conftest.c we need the 'plugins/netcdf/netcdf-4.1.1/config.log' file to understand the problem another solution : there is a port fo...
by jbeuken
Fri Jul 29, 2011 8:20 pm
Forum: Configuration
Topic: Abinit 6.6.1 problem compiling
Replies: 5
Views: 2113

Re: Abinit 6.6.1 problem compiling

Hello, First of all, LAM is no longer tested / supported configure:8041: parsing command-line options configure:9115: Initializing MPI support configure:9119: looking for MPI in /export/mpi/lam/bin/ configure:9152: checking for a MPI C compiler configure:9159: result: none found configure:9166: chec...
by jbeuken
Sat Jul 16, 2011 10:50 pm
Forum: Configuration
Topic: Abinit 6.8.1 compile errors with libxc_mod.F90
Replies: 4
Views: 1700

Re: Abinit 6.8.1 compile errors with libxc_mod.F90

Hi, we have a bot to test abinit under ubuntu 10.4 with deb packages ( when availables ) then, the packages availables are : - gcc 4.4.3 - netcdf 4.1 - openmpi 1.4.1 - fftw3 3.2 - atlas 3.6 I download the libxc 1.1.0 from tddtf.org , configure it and install it under /opt/etsf/ the others plugins ( ...
by jbeuken
Sun Jul 10, 2011 9:10 am
Forum: Configuration
Topic: abinit 6.8.1 + gfortran + mpich2 = no compile
Replies: 7
Views: 4947

Re: abinit 6.8.1 + gfortran + mpich2 = no compile

Hi, the explaination : mpich2-1.4's explicitly defines MPI_Type_hvector in fortran90 module as follows: SUBROUTINE MPI_TYPE_HVECTOR(v0,v1,v2,v3,v4,ierror) USE MPI_CONSTANTS,ONLY:MPI_ADDRESS_KIND INTEGER v0, v1 INTEGER(KIND=MPI_ADDRESS_KIND) v2 INTEGER v3, v4 INTEGER ierror END SUBROUTINE MPI_TYPE_HV...
by jbeuken
Fri Jul 08, 2011 11:13 pm
Forum: Configuration
Topic: abinit 6.8.1 + gfortran + mpich2 = no compile
Replies: 7
Views: 4947

Re: abinit 6.8.1 + gfortran + mpich2 = no compile

it compiles with 6.9.1, mpich2 1.3.2p1 and gcc 4.6.1 8-)

there is something in mpich2 1.4.0...

to follow...

jmb
by jbeuken
Fri Jul 08, 2011 10:32 pm
Forum: Configuration
Topic: abinit 6.8.1 + gfortran + mpich2 = no compile
Replies: 7
Views: 4947

Re: abinit 6.8.1 + gfortran + mpich2 = no compile

Hi John,

I just encountered the same problem (not yet understood) with the development version 6.9.1 of abinit, mpich2 1.4.0 and gcc 4.6.1 :(

it still works with version 6.9.1, mpich2 1.3.1 and gcc 4.5.3 !

What versions of mpich2 and gcc are you using ?

regards

jmb
by jbeuken
Fri Jul 01, 2011 9:26 pm
Forum: Proposed code modifications
Topic: Handful of openMP type, syntax violations in AB 6.8.1
Replies: 1
Views: 2166

Re: Handful of openMP type, syntax violations in AB 6.8.1

Hi,

it's perhaps a good idea, if OpenMPI support is becoming a priority , to have a bot in the testfarm for testing the OpenMPI

thanks

jmb
by jbeuken
Sun Jun 12, 2011 9:13 pm
Forum: Platform specific questions
Topic: abinit for windows 7
Replies: 15
Views: 8596

Re: abinit for windows 7

Dear bahaar,

Sorry , I forgot to answer the seq question...

what is the output / error ?

regards

jmb
by jbeuken
Sun Jun 12, 2011 9:00 pm
Forum: Platform specific questions
Topic: abinit for windows 7
Replies: 15
Views: 8596

Re: abinit for windows 7

Dear bahaar, as indicated in the README file : * parallel - start as administrator , a "command prompt" to start smpd bin\smpd -install - as "user" cd share\example ..\..\bin\mpiexec -localonly 2 ..\..\bin\abinit < "t_kpt+spin.files" another solution is to install ( as ...
by jbeuken
Sat May 14, 2011 8:15 pm
Forum: Build system
Topic: CUDA DOUBLE PRECISION [SOLVED]
Replies: 2
Views: 4042

Re: CUDA DOUBLE PRECISION [SOLVED]

Hello Marco,

As suggested by Alain, it would be preferable to use in build system, the nomenclature "GPU compute capability" rather than accuracy ( SP or DP )
( http://www.geeks3d.com/20100606/gpu-com ... ive-table/ )

my 50 cents, 8-)

jmb
by jbeuken
Thu Apr 21, 2011 10:00 pm
Forum: Bazaar repositories and branches
Topic: Test farm failure on machine Green [SOLVED]
Replies: 2
Views: 4277

Re: Test farm failure on machine Green [SOLVED]

Hello Joe,

it's not a problem with your branch but with network connectivity between green and the rest of UCL network ( and then with archives.abinit.org ) ...
the problem has been resolved by the HPC team...
I'm just restarted the tests of your branch on green...

regards

jmb
by jbeuken
Tue Apr 05, 2011 8:06 pm
Forum: Platform specific questions
Topic: calculating abinit in windows
Replies: 6
Views: 2755

Re: calculating abinit in windows

Hi Raff, thank Alain ( ) for your answer.... if it's the 64bits version, first of all, thank you for your feedback... have you read the very, very, very little, alpha "README" file ? there is a "Quick Start" section : is it so incomprehensible explanations ? ok , I'm not fluence ...
by jbeuken
Sat Mar 05, 2011 8:58 pm
Forum: Build system
Topic: missing flags in INCLUDES [SOLVED]
Replies: 5
Views: 3608

Re: missing flags in INCLUDES [SOLVED]

Matth, Sorry, but I don't understand... where is your gsl/yourfile.h ? you also give the include statements : with_math_incs="-I/gpfs/apps/GSL/1.9/64/include" FLAGS_EXTRA = -I/gpfs/apps/GSL/1.9/64/include I don't understand why the compilation doesn't work... but yes , I agree with you con...
by jbeuken
Sat Mar 05, 2011 3:41 pm
Forum: Build system
Topic: missing flags in INCLUDES [SOLVED]
Replies: 5
Views: 3608

Re: missing flags in INCLUDES [SOLVED]

Matth, now, I have a bot ( buda_gcc45_gsl ) and I put in the .ac file with_math_flavor = gsl with_math_incs = -I/usr/local/gsl/include with_math_libs = -L/usr/local/gsl/lib -lgsl CFLAGS_EXTRA = -I/usr/local/gsl/include and ./configure && make && make tests works and the waterfall is ...
by jbeuken
Thu Mar 03, 2011 3:39 pm
Forum: Build system
Topic: I cannot configure abinit 6.7.1 [SOLVED]
Replies: 11
Views: 8993

Re: I cannot configure abinit 6.7.1 [SOLVED]

Fabien,

to disable : atompaw libx wannier90 bigdft

--with-dft-flavor=none

to disable : netcdf fox etsf_io

--with-trio-flavor=none

and perhaps

--enable-connectors=no

good luck :roll:
jmb
by jbeuken
Thu Mar 03, 2011 8:53 am
Forum: Configuration
Topic: Building libxc (or disabling it) in AB 6.6.1, OS X
Replies: 1
Views: 3131

Re: Building libxc (or disabling it) in AB 6.6.1, OS X

Hello, to define the DFT libraries, we use ( from 6.6.x and above ) --with-dft-flavor="atompaw+bigdft+libxc+wannier90" ( the default ) then , to disable libxc --with-dft-flavor="atompaw+bigdft+wannier90" meanwhile, I succeed to compile abinit 6.6.1 with libxc on Mac OS X 10.5 / i...
by jbeuken
Mon Feb 07, 2011 6:47 pm
Forum: Configuration
Topic: [SOLVED] ABINIT PARALLEL ON CENTOS
Replies: 4
Views: 1762

Re: ABINIT PARALLEL ON CENTOS

Hi, source /usr/local/intel/current/bin/ifortvars.sh intel64 export FC=mpif90 export CC=mpicc ./configure --enable-mpi="yes" --enable-64bit-flags="yes" make where is the MPI distribution ? what is the result of which mpif90 echo $PATH if the first cmd gives a path ( /the/path ), ...
by jbeuken
Sat Dec 25, 2010 7:58 pm
Forum: Configuration
Topic: problem in installing abinit-6.2.2
Replies: 2
Views: 1587

Re: problem in installing abinit-6.2.2

Hi, the support of MPI is not activated : ============================================================================== === Connectors === ============================================================================== checking whether MPI is usable... no configure: WARNING: MPI support is broken! c...
by jbeuken
Sun Nov 14, 2010 9:17 am
Forum: Pseudopotentials and PAW datasets
Topic: [SOLVED] Troullier-Martins Psuedopotential dl link broken
Replies: 12
Views: 3677

Re: Troullier-Martins Psuedopotential download link broken

hello, I'm forget to answer to the next problem.. When I attempt to download an element like Lithium with link m a new empty page opens and no further activity occurs. No downloads are initiated at this time. In order to diagnose this problem I tried logging in to the ftp server first using an anony...
by jbeuken
Sun Nov 14, 2010 9:07 am
Forum: Pseudopotentials and PAW datasets
Topic: [SOLVED] Troullier-Martins Psuedopotential dl link broken
Replies: 12
Views: 3677

Re: Troullier-Martins Psuedopotential download link broken

Hello,

as you see in the cation ( for Nb and Cr : no file avalaible for TM ) , you can find FHI psp for theses elements

but, right, the links are bad : corrected...

regards

jmb
by jbeuken
Fri Nov 12, 2010 7:00 pm
Forum: Platform specific questions
Topic: make problem for 6.4.1 on RHEL5
Replies: 4
Views: 2486

Re: make problem for 6.4.1 on RHEL5

Hello, I'm using the gnu fortran compiler, installed as gcc-fortran-4.1.2-46.el5_4.2. libgfortran and cpp are installed as the same version. the gcc 4.1.2 is not any more supported... the default parameters for compilation are, among others, "-mtune=native -march=native" not recognized by ...
by jbeuken
Mon Oct 25, 2010 6:26 pm
Forum: Testing and Documentation
Topic: [SOLVED]Subscribed to forums but not receiving mail noticifa
Replies: 5
Views: 2519

Re: Subscribed to forums but not receiving mail noticifacion

Igor,

it's not so oddly : two days before, the subscription was to "None" and I forced it to "Day"

I suspect that, the last update of Digest module resets all subscriptions...

happy that it works...

jmb
by jbeuken
Sat Oct 23, 2010 6:17 pm
Forum: Testing and Documentation
Topic: [SOLVED]Subscribed to forums but not receiving mail noticifa
Replies: 5
Views: 2519

Re: Subscribed to forums but not receiving mail noticifacion

Hello Igor, First of all, the configuration of Digest must be made with the prosilver style ( not implemented with subsilver2 ) In your "User Control Panel" / tab "Digests" / "Basics" / "Type of digest wanted" : did you see "Daily" ( I force DAY in t...