[Wien] error in lapw2 - parallel

wrote: Dear Dr Peter This is the error message raja at ubuntu://home/raja/work/Cu$ x lapw2 -p running LAPW2 in parallel mode FERMI - Error cp: cannot stat `.in.tmp': No such file or directory ** LAPW2 crashed! 0.0u 0.0s 0:00.10 40.0% 0+0k 0+184io 0pf+0w error: command /home/raja

Re: [Wien] Multicore on i7 iMac

END LAPW1 END LAPW1 END LAPW1 END FERMI - Error cp: .in.tmp: No such file or directory stop error How many real cores do you have ? Most likely only 4 (the 8 comes from hyperthreading, but for numerical intensive application one should probably not use hyperthreading). So the best

Re: [Wien] Problem with wien2k 13.1 parallel for Slurm+intel mpi

communicator case.scf1dn_1: No such file or directory. grep: No match. FERMI - Error cp: cannot stat `.in.tmp': No such file or directory stop error --- Please let me know, maybe something is wrong in the mpi configuration. I have an intel mpi installed on the cluster

Re: [Wien] MPI execution without any SSH access?

l_lapw .stdout1_$loop > .temp1_$loop; grep \% .temp1_$loop > >> .time1_$loop; grep -v \% .temp1_$loop | perl -e "print stderr " ) > Host key verification failed. > [4] + Done ( ( $remote $machine[$p] "cd > $PWD;$t $taskset0 $exe ${def}_$l

Re: [Wien] MPI execution without any SSH access?

1_$loop; grep \% .temp1_$loop >> .time1_$loop; grep -v \% .temp1_$loop | perl -e "print stderr " ) Host key verification failed. [4] + Done ( ( $remote $machine[$p] "cd $PWD;$t $taskset0 $exe ${def}_$loop.def ;fixerror_lapw ${def}_$loop"; rm -f .l

Re: [Wien] LAPW1 error using HDLO's for Sm f states in SmCo5

e.g. "runsp_lapw -p -so -orb -i 150 -ec 0.0001 -cc 0.01 -NI" the scf cycle runs up to LAPWSO. Afterwards, I get in the console: FERMI - Error cp: cannot stat '.in.tmp': No such file or directory > stop error The file "uplapw2.error"- the only error file

Re: [Wien] LAPW1 error using HDLO's for Sm f states in SmCo5

.     "runsp_lapw -p -so -orb -i 150 -ec 0.0001 -cc 0.01 -NI" the scf cycle runs up to LAPWSO. Afterwards, I get in the console: ** *    FERMI - Error    cp: cannot stat '.in.tmp': No such file or directory    >  stop error The file "uplapw2.error"- the only error file

Re: [Wien] parallel ssh error

apw7 /home/username/WIEN2K/lapw7c >> /home/username/WIEN2K/lapwdm /home/username/WIEN2K/lapwdmc >> /home/username/WIEN2K/lapwdmcpara /home/username/WIEN2K/lapwdmpara >> /home/username/WIEN2K/lapwdmpara_lapw /home/username/WIEN2K/lapwso >> /home/username/WIEN2K/lapwsocpara /

Re: [Wien] parallel ssh error

ome/username/WIEN2K/lapwso_mpi > /home/username/WIEN2K/lapwsopara /home/username/WIEN2K/lapwsopara_lapw > > > However getting the same error > > > > stop error > > grep: *scf1*: No such file or directory > cp: cannot stat '.in.tmp': No such file or directory >

Re: [Wien] parallel ssh error

apw /home/username/WIEN2K/lapwso /home/username/WIEN2K/lapwsocpara /home/username/WIEN2K/lapwso_mpi /home/username/WIEN2K/lapwsopara /home/username/WIEN2K/lapwsopara_lapw However getting the same error > stop error grep: *scf1*: No such file or directory

Re: [Wien] parallel ssh error

ame/WIEN2K/lapwsopara /home/username/WIEN2K/lapwsopara_lapw However getting the same error   stop error grep: *scf1*: No such file or directory cp: cannot stat '.in.tmp': No such file or directory FERMI - Error grep: *scf1*: No such file or directory Parallel.scf1_1: No such file or direc

Re: [Wien] WIENncm installation error

ecting the magnetic space group of the non-collinear magnetic structure. The same procedure( xncm lapw2 -qtl>configure_int_lapw>xncm tetra) I am following to calculate dos structure. While executing "xncm lapw2 -qtl" I am getting an error message : "FERMI -error." Loo

Re: [Wien] Multicore on i7 iMac

written LAPW2 END LAPW2 END SUMPARA END LAPW2 - FERMI; weighs written LAPW2 END LAPW2 END SUMPARA END CORE END CORE END MIXER END in cycle 23ETEST: .294226365000 CTEST: 2.3441252 LAPW0 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END FERMI - Error cp

[Wien] Define the direction of magnetization in case.inso for fcc or bcc cubic lattice

- FERMI; weighs written LAPW2 END LAPW2 END SUMPARA END CORE END CORE END MIXER END in cycle 23ETEST: .294226365000 CTEST: 2.3441252 LAPW0 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END FERMI - Error cp: .in.tmp: No such file or directory

Re: [Wien] Multicore on i7 iMac

LAPW0 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END FERMI - Error cp: .in.tmp: No such file or directory stop error How many real cores do you have ? Most likely only 4 (the 8 comes from hyperthreading, but for numerical intensive application one should probably

Re: [Wien] Multicore on i7 iMac

LAPW2 END LAPW2 END SUMPARA END CORE END CORE END MIXER END in cycle 23ETEST: .294226365000 CTEST: 2.3441252 LAPW0 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END FERMI - Error cp: .in.tmp: No such file or directory stop error How many

Re: [Wien] Problem with wien2k 13.1 parallel for Slurm+intel mpi

(76).: Invalid communicator case.scf1dn_1: No such file or directory. grep: No match. FERMI - Error cp: cannot stat `.in.tmp': No such file or directory stop error --- Please let me know, maybe something is wrong in the mpi configuration. I have an intel mpi

Re: [Wien] Problem with wien2k 13.1 parallel for Slurm+intel mpi

communicator, error stack: PMPI_Comm_size(123): MPI_Comm_size(comm=0x5b, size=0x7e356c) failed PMPI_Comm_size(76).: Invalid communicator case.scf1dn_1: No such file or directory. grep: No match. FERMI - Error cp: cannot stat `.in.tmp': No such file or directory stop error

Re: [Wien] Yes, the sys_adm changed somethings

LAPW0 END LAPW0 END grep: .processes: No such file or directory InPzb15InPwurt3-V2.scf1_1: No such file or directory. grep: No match. FERMI - Error cp: cannot stat `.in.tmp': No such file or directory stop error Final do job: Tue May 27 16:14:15 BRT 2014

Re: [Wien] MPI execution without any SSH access?

) >& .stdout1_$loop; if ( -f .stdout1_$loop ) >>> bashtime2csh.pl_lapw .stdout1_$loop > .temp1_$loop; grep \% .temp1_$loop >>> >> .time1_$loop; grep -v \% .temp1_$loop | perl -e "print stderr " ) >>> [4] + 15090 Running ( ( $remo

Re: [Wien] WIENncm installation error

calculate dos structure. While executing "xncm lapw2 -qtl" I am getting an error message : "FERMI -error." Looking forward to your suggestions for the dos calculations. Kind Regards, Safikul Islam On Fri, Dec 15, 2023 at 10:10 PM Safikul Islam mailto:safikul.physics1...@gma

[Wien] MKL error: Cannot load symbol MKLMPI_Get_wrappers

`/home/hetaba/Test/qsub-Test-1/TiC/14537' cp: omitting directory `/home/hetaba/Test/qsub-Test-1/TiC/14538' cp: omitting directory `/home/hetaba/Test/qsub-Test-1/TiC/14539' cp: omitting directory `/home/hetaba/Test/qsub-Test-1/TiC/Testing' cp: omitting directory `/home/hetaba/Test/qsub-Test-1

[Wien] Fw: plz help required

to calculate partial charges in DOS. but when i click in DOS on x lapw2 -qtl -c -p with option calculate partial charges it gives this error. running LAPW2 in parallel mode calculating QTL's from parallel vectors FERMI - Error 0.084u 0.124s 0:00.32 62.5% 0+0k 0+0io 0pf+0w (standard_in) 1: parse

[Wien] Fw: plz help required

vectors FERMI - Error 0.084u 0.124s 0:00.32 62.5% 0+0k 0+0io 0pf+0w (standard_in) 1: parse error (standard_in) 1: parse error (standard_in) 1: parse error (standard_in) 1: parse error (standard_in) 1: parse error (standard_in) 1: parse error (standard_in) 1: parse error (standard_in) 1: parse

[Wien] Fw: plz help required

in DOS on x lapw2 -qtl -c -p with option calculate partial charges it gives this error. running LAPW2 in parallel mode calculating QTL's from parallel vectors FERMI - Error 0.084u 0.124s 0:00.32 62.5% 0+0k 0+0io 0pf+0w (standard_in) 1: parse error (standard_in) 1: parse error (standard_in) 1

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