Perl Scripts for Condor (mostly)
| gene_setdir |
| creates a set of directory for a multiparameter
calculations gene_setdir file_input name_input were file_input is an input type file, were numerical values have been replaced by fields <Ni:valuei_start:valuei_increment> Directories are called NODE_j, where j runs from 1 to N1x..xNix...xNmax and are populated by a file name_input example (for DL_POLY): gene_setdir FIELD FIELD Rk: It is important to have spaces around the fields: example: Kpoints <3:1:1> <3:1:1> <3:1:1> |
| run_putdir |
| populate a set of directory with files
containing path informations run_putdir N Dir_root file1 populate the N directories Dir_rooti (i=1,N) by file1, and if file1 contains a line containing cd replace the line by cd ..../Dir_rooti example: run_putdir 50 NODE_ run.vasp Usefull for some schedulers |
| abi_setdir |
| creates and populate a set of directory
for a set of abinit linear response calculation It requires 5 files: qpts.abi (which contains a list of N qpoints) input0.abi (abinit input files for Gamma point) input1.abi (abinit input file for any qpoint) files.abi (abinit files file) run.abi (condor submission script) It then creates N directories : QPT_qx_qy_qz and fill them with the relevant files: files.abi,run.abi,input.abi |
| abi_fire |
| submits the jobs created by abi_setdir It requires 1 files: qpts.abi (which contains a list of N qpoints) It then submits the N run.abi located in the QPT_qx_qy_qz directories |
| abi_collect
|
| collect the DDBs from an abinit linear
response calculations, from directories set with abi_setdir It requires 1 files: qpts.abi (which contains a list of N qpoints) It collect the N DDB files from the QPT_qx_qy_qz directories and rename them xo_qx_qy_qz_DDB it also creates the file files.ifc, for further use with ifc or anaddb |
| meta_setdir |
| No description |
| meta_fire |
| No description |
| meta_collect
|
| No description |
| mcme_setdir
|
| No description |
