Search found 355 matches
- Sat Oct 29, 2011 10:11 pm
- Forum: Configuring and compiling ABINIT
- Topic: abinit for windows 7
- Replies: 15
- Views: 14143
Re: abinit for windows 7
Bahaar another precision concerning mpich2 smpd daemon... 1. stopping MPICH2 process Manager, Argonne National lab. 2. MPICH2 process Manager, Argonna National lab Stopped. 3. MPICH2 process Manager, Argonna National lab removed. if the "bin\snmp -install" had been already started, the ser...
- Sat Oct 29, 2011 9:51 pm
- Forum: Configuring and compiling ABINIT
- Topic: abinit for windows 7
- Replies: 15
- Views: 14143
Re: abinit for windows 7
Hello, First of all, I'm just trying the recipe with my PC with a fresh windows 7 installation and the "abinit-6.6.3_i686_cygwin_gnu4.5.zip" package For parallel i have a question. I use the "bin\smpd -install" command as determined in readme. except for the command "bin\smp...
- Sat Oct 29, 2011 8:25 pm
- Forum: Configuring and compiling ABINIT
- Topic: Abinit 6.8.1 + OpenMPI = FAIL [SOLVED]
- Replies: 13
- Views: 18375
Re: Abinit 6.8.1 + OpenMPI = FAIL [SOLVED]
Hello, this is my recipe for a Core-i7 / ubuntu 10.04 (64bits) / abinit 6.8.2 or 6.10.1 ( tested under our testfarm ) : from a fresh install : 1) installation of theses packages : apt-get -y install gcc gfortran apt-get -y install patch apt-get -y install libnetcdf4 libnetcdf-dev apt-get -y install ...
- Sat Oct 29, 2011 8:07 pm
- Forum: Configuring and compiling ABINIT
- Topic: ifort + abinit 6.8.2 = fail
- Replies: 3
- Views: 3564
Re: ifort + abinit 6.8.2 = fail
Hello,
can you try first with the version 1.3.2p1 ?
if you want to use the version 1.4.1p1 , see before the thread :http://forum.abinit.org/viewtopic.php?f=3&t=1206
jmb
roginovicci wrote:No the mpich is 1.2 should I ask to upgrade up to 1.4?
can you try first with the version 1.3.2p1 ?
if you want to use the version 1.4.1p1 , see before the thread :http://forum.abinit.org/viewtopic.php?f=3&t=1206
jmb
- Sun Oct 23, 2011 7:30 pm
- Forum: Configuring and compiling ABINIT
- Topic: remote access to supercomputer or cluster [SOLVED]
- Replies: 5
- Views: 7343
Re: remote access to supercomputer or cluster [SOLVED]
Hi,
take a look on : http://www.abinit.org/news/abinit-on-nanohub
jmb
My question is: is it possible (preferably free or inexpensive) to obtain remote access to supercomputer? If so, where and how?
take a look on : http://www.abinit.org/news/abinit-on-nanohub
jmb
- Wed Oct 12, 2011 8:11 pm
- Forum: Configuring and compiling ABINIT
- Topic: log file
- Replies: 4
- Views: 3616
Re: log file
Hi,
and with
jmb
I use the v.6.6.3 of abinit installed on windows and use the abinit<ab.files command to run the code. when i use abinit<ab.files&log command, cod runs as well but no log file appears in the output.
and with
Code: Select all
abinit < ab.files >& log
jmb
- Mon Oct 10, 2011 3:59 pm
- Forum: Configuring and compiling ABINIT
- Topic: ifort + abinit 6.8.2 = fail
- Replies: 3
- Views: 3564
Re: ifort + abinit 6.8.2 = fail
Hello, the version of mpich2 is 1.4.x ? if yes, perhaps your problem is related of a problem with mpich2 not with abinit then you can read this topic ( http://trac.mcs.anl.gov/projects/mpich2/changeset/8834 ) reproduced here : Index: /mpich2/branches/release/mpich2-1.4.x/RELEASE_NOTES ==============...
- Mon Oct 10, 2011 3:44 pm
- Forum: Configuring and compiling ABINIT
- Topic: abinit 6.8.1 + gfortran + mpich2 = no compile
- Replies: 7
- Views: 7823
Re: abinit 6.8.1 + gfortran + mpich2 = no compile
Hi Steven, sorry for this long delay of in my reaction... --- src/binding/f90/buildiface 2011-03-20 15:37:51.000000000 -0400 +++ ../../mpich2-1.4/src/binding/f90/buildiface 2011-07-25 19:12:52.529963846 -0400 @@ -189,6 +189,7 @@ 'Op_commutative-2' => 'bool', 'File_set_atomicity-2' => 'bool', 'File_g...
- Sat Oct 08, 2011 3:28 pm
- Forum: Configuring and compiling ABINIT
- Topic: Abinit 6.8.2 compile error with openmpi & pathscale
- Replies: 2
- Views: 2821
Re: Abinit 6.8.2 compile error with openmpi & pathscale
Hello, /tmp/pathcc-s-74b0dc51.s:4669:2: error: ORG overlap with already existing data .org 0x0 ^ I had this error with the "free" version ( nightly build = develpoment ) ( I had introduce a bug report...) I was able to compile the version 6.8 ( and 6.10 ) but with the paid version pathf90 ...
- Thu Aug 18, 2011 2:34 pm
- Forum: Configuring and compiling ABINIT
- Topic: checking if Fortran "real" is C "float"... configure: error
- Replies: 10
- Views: 8164
Re: checking if Fortran "real" is C "float"... configure: er
Hello Anna, I suspect a problem of architecture (32bit vs 64bit) can you use this configure command with the 64bit enabled ( and a additionnal lib with netcdf option ( netcdff = netcdf for fortran ) ) : ../abinit-6.6.1_invKS/configure \ --with-fallbacks-tardir=/Users/anna/Documents/anna/1projects/si...
- Tue Aug 16, 2011 8:57 pm
- Forum: Configuring and compiling ABINIT
- Topic: checking if Fortran "real" is C "float"... configure: error
- Replies: 10
- Views: 8164
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), %...
- Mon Aug 15, 2011 8:54 pm
- Forum: Configuring and compiling ABINIT
- Topic: checking if Fortran "real" is C "float"... configure: error
- Replies: 10
- Views: 8164
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 :
jmb
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
- Sun Aug 14, 2011 8:46 pm
- Forum: Configuring and compiling ABINIT
- Topic: checking if Fortran "real" is C "float"... configure: error
- Replies: 10
- Views: 8164
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...
- Fri Jul 29, 2011 8:20 pm
- Forum: Configuring and compiling ABINIT
- Topic: Abinit 6.6.1 problem compiling
- Replies: 5
- Views: 4024
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...
- Sat Jul 16, 2011 10:50 pm
- Forum: Configuring and compiling ABINIT
- Topic: Abinit 6.8.1 compile errors with libxc_mod.F90
- Replies: 4
- Views: 3612
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 ( ...
- Sun Jul 10, 2011 9:10 am
- Forum: Configuring and compiling ABINIT
- Topic: abinit 6.8.1 + gfortran + mpich2 = no compile
- Replies: 7
- Views: 7823
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...
- Fri Jul 08, 2011 11:13 pm
- Forum: Configuring and compiling ABINIT
- Topic: abinit 6.8.1 + gfortran + mpich2 = no compile
- Replies: 7
- Views: 7823
Re: abinit 6.8.1 + gfortran + mpich2 = no compile
it compiles with 6.9.1, mpich2 1.3.2p1 and gcc 4.6.1
there is something in mpich2 1.4.0...
to follow...
jmb
there is something in mpich2 1.4.0...
to follow...
jmb
- Fri Jul 08, 2011 10:32 pm
- Forum: Configuring and compiling ABINIT
- Topic: abinit 6.8.1 + gfortran + mpich2 = no compile
- Replies: 7
- Views: 7823
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
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
- Fri Jul 01, 2011 9:26 pm
- Forum: Improving ABINIT
- Topic: Handful of openMP type, syntax violations in AB 6.8.1
- Replies: 1
- Views: 3779
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
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
- Sun Jun 12, 2011 9:13 pm
- Forum: Configuring and compiling ABINIT
- Topic: abinit for windows 7
- Replies: 15
- Views: 14143
Re: abinit for windows 7
Dear bahaar,
Sorry , I forgot to answer the seq question...
what is the output / error ?
regards
jmb
Sorry , I forgot to answer the seq question...
what is the output / error ?
regards
jmb
- Sun Jun 12, 2011 9:00 pm
- Forum: Configuring and compiling ABINIT
- Topic: abinit for windows 7
- Replies: 15
- Views: 14143
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 ...
- Sat May 14, 2011 8:15 pm
- Forum: Configuring and compiling ABINIT
- Topic: CUDA DOUBLE PRECISION [SOLVED]
- Replies: 2
- Views: 6248
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,
jmb
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,
jmb
- Tue Apr 05, 2011 8:06 pm
- Forum: Configuring and compiling ABINIT
- Topic: calculating abinit in windows
- Replies: 6
- Views: 5628
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 ...
- Sat Mar 05, 2011 8:58 pm
- Forum: Configuring and compiling ABINIT
- Topic: missing flags in INCLUDES [SOLVED]
- Replies: 5
- Views: 6635
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...
- Sat Mar 05, 2011 3:41 pm
- Forum: Configuring and compiling ABINIT
- Topic: missing flags in INCLUDES [SOLVED]
- Replies: 5
- Views: 6635
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 ...