ABINIT Discussion Forums

Hello, It means that the maximum integer defined is not sufficient for your case. You can set option to the compiler to increase the maximum integer. You have first to know which compiler are under mpif90 (gfortran , ifort ...), mpicc (gcc, icc..). For that mpif90 --help , mpicc --help might give yo...

You have to put CFLAGS , CXXFLAGS, FCFLAGS to the size of integer you want. If you use gfortran -fdefault-integer-8 if you use ifort -i8 The option of your compiler can be know with : man gfortran or gfortran --help man ifort or ifort --help To know if under your mpif90, mpicc ect is ifort, gfortran...

It seem that your executable is sequential You may have done a spelling mistake when you do your configure. If this is the case, the configure doen't find your configuration file and do a default configuration. To see if the configuration is done properly. You may have a look to config.log file or c...

You probably compile without MPI. May be you make a mistake in the compile order you give ( orthographic error .. ect ..). The built system then takes the default for compiling if you made a directory build under the abinit root, and you have your config file ./my_config.ac under this directory You ...

Try to compile if you use ifort with the -integer-size 64 equivalent -i8 ( integer are 8 bites longs) without option the default is -i4.
if you compile with gfortran try to compile with the option -fdefault-integer-8

You can see also the web site
Home->Documentation->Help files->abinit help for the description of the output files
and also the implementation

see also
Home → Documentation → Help files → for v7.8 → users → Abinit help for version 7.8

May be you don't need to specify fcflags_opt_66_wfs
Try without specfify it and if it doesn't work try with -O0 instead of -O1

Could you please give your input file ?

A possible cause for crash of big case is the size of the message to be written or read at the same time.

The size of the message is parameted in WffReadWrite_mpio.F90 by MAXBANd=500
It could be decrease by decreasing MAXBAND .
I hope it could help

Muriel Delaveau

A possible cause for crash of big case is the size of the message to be written or read at the same time. The size of the message is parameted in WffReadWrite_mpio.F90 by MAXBAND=500 the size of the message could be decrease by decreasing MAXBAND. MAXBAND=500 has been choseen for performance reason ...

The crash migth be because of memory use in rwwf.F90 . For performance reason, the writting order is made MAXBAND by MAXBAND. and is set arbitarly to 500.
You can decrease this value to decrease the memory used.
Hoping it will help

Muriel Delaveau

A way of decreasing memory needed for writing WF is to decrease MAXBAND in rwwf.F90 . then compile again.
MAXBAND is the number of band written in one shot in WF.
It's value is important for the celerity of writting.

Muriel Delaveau

A way to minimize the memory needed to write WF file in case of MPI_IO is in wffreadwrite_mpio.F90 to decrease MAXBAND=500 ( number of band write in one shot in WF file). The celerity of written is link to the number of band written in one shot. put MAXBAND to a lower value and compile again then tr...

A possible cause for crash of big case is the size of the message to be written or read at the same time. The size of the message is parameted in WffReadWrite_mpio.F90 by MAXBAND=500 The way the written is done is hide under mpi-io implementation. but the size of the message could be decrease by dec...

A possible reason for having crash in case of big system when writing file WFK is the size of message to be written at the same time. this size is fixed by MAXBAND=500 in WffReadWrite_mpio.F90 . It means that a message of 500*size of one band ( sie of cg for one band) is on memory. This to minimize ...

When WFK file crashes for big case. It migth be because the buffer to be write at the same times is to big. A way of decreasing the size of the buffer is in WffReadWrite_mpio.F90 to put MAXBAND to a lower value. Actually, it's put at 500 meaning that a msg of at most 500*taille of one band is writte...