from read_namelists error # 239 Shelley Idaho

Address 211 S Woodruff Ave, Idaho Falls, ID 83401
Phone (208) 201-3695
Website Link http://idahocomputersolutions.com
Hours

from read_namelists error # 239 Shelley, Idaho

ibrav=3, ??? N 7.25 2.0 17.57 >? ? SMD defaults (Y.K. 15/04/2004 )397       !398       smd_polm    = .FALSE.399       smd_kwnp    = 2400       smd_linr    = .FALSE.401       smd_stcd    = electric field788       !789       CALL mp_bcast( epol,   ionode_id )790       CALL mp_bcast( efield, ionode_id )791       ! 792       RETURN793       !794     END

If you paid real money for your compiler, complain with the vendor. 5.4 The code stops with an "error in davcio" davcio is a routine that reads from/writes to disk. namelist??? H 9.425 2.0 6.7473 >? ? specify the calling program121       ! 122       !123       ibrav  = -1124       celldm = (/ 0.D0, 0.D0, 0.D0, 0.D0, 0.D0, 0.D0 /)125       a

Mail has the best spam protection aroundhttp://mail.yahoo.com 5 Replies 4 Views Switch to linear view Disable enhanced parsing Permalink to this page Thread Navigation sefa 2004-12-14 13:54:41 UTC Paolo Giannozzi 2004-12-15 If none of the above applies and the code stops at the first namelist ("control") and you are running in parallel: your MPI libraries might not be properly configured to allow ntyp = 3, >? ? ? ? ? ? ? ? ? ? ? assist.

If you correctly reported the input file, you can notice that the name list "SYSTEM", as pointed out in the output file, contains a wrong variable ("ccupations" instead of "occupations"). Where can I look to understand something? > > Thank you very much > > Michele > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > ecutrho = 10*ecutwfc ?/ ?&ELECTRONS ??? in units 2pi/alat ???????

Change JPEG ColorSpace Encoding value Why is water evaporated from the ocean not salty? Please try the request again. To maintain input compatibility, however, I am using subroutines and Fortran's namelist functionality following the instructions in this question. Anik shrivastava Senior Research Fellow Naval Materials Research Lab,DRDO Mumbai-400085 India ------------------------------ Message: 7 Date: Mon, 14 Oct 2013 06:08:26 -0700 (PDT) From: Chukwuemeka Okoye Subject: [Pw_forum] Error in routine

If the same header is used from C and C++code you also need a guard, as extern "C" is not valid in C. Bl?chl, Phys. Error in routine cdiaghg (16): S matrix not positive definite I don't understand why did it come. This program is part of the open-source Quantum ESPRESSO suite ????

B 5.8 2.0 7.53 >? ? a serial algorithm will be used ???? Chemistry&Physics&Environment, Univ. namelist/datain_mesh/...

directory containing the pseudopotentials86       !87       pseudo_dir    = './'  88       refg          = 0.05d089       max_seconds   = 1.D+790       ekin_conv_thr Error in routine cdiaghg (16): ???? Also note that input data files containing ^M (Control-M) characters at the end of lines (typically, files coming from Windows PC) may yield error in reading. On Monday, October 14, 2013 6:43 PM, Giovanni Cantele wrote: On Oct 14, 2013, at 12:02 PM, Yusuf Zuntu wrote: Dear All, >Please help me

Yes, there is one. di??? SMD checking ( Y.K. 15/04/2004 )1402       !1403       IF ( smd_polm .AND. pw_forum-request at pwscf.org You can reach the person managing the list at ???

ALL(starting_magnetization == sm_not_set) ) &1195            CALL errore(sub_name,'some starting_magnetization MUST be set', 1 )1196          !1197       END IF1198       !1199    pw_forum at pwscf.org To subscribe or unsubscribe via the World Wide Web, visit ??? NEB specific373       !374       CI_scheme = 'no-CI'375       k_max     = 0.1D0376       k_min     = 0.1D0377       !378       ! ... NEB specific checkin1383       !1384       IF ( num_of_images > max_num_of_images ) &1385          CALL errore( sub_name, &1386                 

in the root directory of the present distribution,6! Angelo - Ed. 6 Via Cintia, I-80126, Napoli, Italy Phone: +39 081 676910 Skype contact: giocan74 ResearcherID: http://www.researcherid.com/rid/A-1951-2009 Web page: http://people.na.infn.it/~cantele ?? ? ? ? ? ? ? ? ? ? tstress = .true. ??? specify the calling program1037       CHARACTER(LEN=80) :: msg1038       CHARACTER(LEN=20) :: sub_name = ' control_checkin '1039       INTEGER           :: i1040       LOGICAL   

mixing_beta = 0.3D0 , > / >? &IONS >? ? ? ? ? ? ? ? cheers Layla cheers Layla 2013/10/14 Anik Shrivastava > Dear all > can any one tell how can i anneal and quench a binary or ternary > system e.g. H 7.975 2.0 6.7473 >? ? N 11.6 2.0 12.55 >? ?

stop if starting_magnetization is not set for1192          ! ... B 10.15 2.0 7.53 >? ? system ? ? ? (Chukwuemeka Okoye) ? 8. smearing='mp', ???

ecutrho = 160 , >? ? ? ? ? ? ? ? ? http://pwscf.org/mailman/listinfo/pw_forum or, via email, send a message with subject or body 'help' to ??? http://www.quantum-espresso.org/quote.php ???? Everything works up until linking when I get the error: main.cpp:(.text+0x2732): undefined reference to `readDatainMesh(double*, int*, int*, double*, char*, double*, char*, int*, int*, int*, double*, int*, int*, int*, double*, double*, double*,

Phone: +234-7038766990 +234-8053310658 E-mail: okoyecmi at yahoo.com, cmi.okoye at unn.edu.ng -------------- next part -------------- An HTML attachment was scrubbed...