Hi Gerhard, It was indeed an error at the place which you were suspecting. Thanks But it wasn't a typo error. As these lines are automatically generated by the program in the 2Doptimize.job file, it was because of the longer file name (Pu_Zr_hcp_metastable_2D) that the .clmsum extension had shifted to the next line.
Thanks again Suddhasattwa -----Original Message----- From: wien-boun...@zeus.theochem.tuwien.ac.at [mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Ghosh SUDDHASATTWA Sent: Thursday, May 13, 2010 8:18 AM To: 'A Mailing list for WIEN2k users' Subject: Re: [Wien] 2Doptimize.job Dear Gerhard, Thanks for the mail check that the \' s in the lines following foreach i ( \ case something__-8.0 \ ... case something___8.0 \ ) are all correct (check if there are tabs instead of spaces, or anything else that does not belong there but is hidden) Everything is ok set count = 1 set j = 0 @ j = $j + 1 set jj = 1 foreach i ( \ 2D_V-10.0_COA_25.0 \ 2D_V-10.0_COA_26.0 \ 2D_V-10.0_COA_27.0 \ 2D_V-10.0_COA_28.0 \ 2D_V-10.0_COA_29.0 \ ------ 2D_V_10.0_COA_61.0 \ 2D_V_10.0_COA_62.0 \ 2D_V_10.0_COA_63.0 \ 2D_V_10.0_COA_64.0 \ 2D_V_10.0_COA_65.0 \ ) echo "*******************************" echo $i echo "*******************************" in some cases a line break appears for long file names in the if (-e case something_opt_something.clmup && ! -z case something_opt_something.clmup) or other if(... ) lines that causes an Too many ('s error. There are no line breaks if (-e Pu_Zr_hcp_metastable_2D.clmsum && ! -z Pu_Zr_hcp_metastable_2D .clmsum) then x dstart -super endif if (-e Pu_Zr_hcp_metastable_2D.clmup && ! -z Pu_Zr_hcp_metastable_2D .clmup ) then x dstart -super -up x dstart -super -dn endif as it appears in youre case after the rm .... line, I guess it is somewhere above that line, did you check that the last ) after foreach ... is ok It is ok #!/bin/csh -f # #Modify this script according to your needs unalias rm # # to reuse previous scf runs (without a new scf run) set answscf=y # and use the same "savename". # When you make modifications (RKmax, k-mesh, XC-potentials) choose # answscf=no and a new savename (eg. "_pbe_rk8_1000k"). set answscf=y set savename= # set numbvcoa = `head -1 < numbvcoa` set numbcoa = $numbvcoa[2] # rm -f Pu_Zr_hcp_metastable_2D.Vconst* if !(-d Vconst$savename) then mkdir Vconst$savename endif if (-e Pu_Zr_hcp_metastable_2D.clmsum && ! -z Pu_Zr_hcp_metastable_2D .clmsum) then x dstart -super endif Thanks [SuddhasattwaGhosh] Suddhasattwa _______________________________________________ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
