Not really. The -c switch is not mandatory and will be added automatically if inversion is not present in newer wien2k versions.....
On 03/22/2013 08:54 AM, Gavin Abo wrote: > Your first post has: > > > lapw2 -p -c (11:23:12) running > > I think you should have ran > > x lapw2 -p -c > > for a complex calculation > > On 3/22/2013 1:50 AM, Peter Blaha wrote: >> Now you have an "error message" !! >> >> What is about ls-als *error and their contant ? >> >> cat *.scf1 are there eigenvalues printed ??? >> >> cat *.in2 how does this file look like ? >> >> On 03/22/2013 08:43 AM, Mathrubutham Rajagopalan 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/wien2k/lapw2para lapw2.def failed >>> raja at ubuntu://home/raja/work/Cu$ >>> Raja >>> >>> On Fri, Mar 22, 2013 at 1:10 PM, Peter Blaha >>> <pblaha at theochem.tuwien.ac.at <mailto:pblaha at theochem.tuwien.ac.at>> >>> wrote: >>> >>> You do not even have lapw2*.error files (which should exist and >>> be empty). >>> >>> What happens if you run: x lapw2 -p in a terminal ?? >>> >>> >>> On 03/22/2013 08:35 AM, Mathrubutham Rajagopalan wrote: >>> >>> Dear Dr Peter, >>> >>> Thanks for the response >>> >>> The error does not occur in sequential run >>> >>> we have 8 processor But I used only four >>> >>> I opened the following files All are empty >>> >>> dstart.error >>> 8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw0.error >>> 8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw1_1.error >>> 8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw1_2.error >>> 8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw1_3.error >>> 8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw1_4.error >>> 8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw1_5.error >>> 8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw1_6.error >>> 8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw1_7.error >>> 8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw1.error >>> 8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:55 lcore.error >>> 8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:55 mixer.error >>> >>> With out parallel the job runs without any error >>> >>> Just now I tried to run Co2FeSi >>> Again I got the same error >>> >>> Regards >>> Raja >>> >>> On Fri, Mar 22, 2013 at 12:45 PM, Peter Blaha >>> <pblaha at theochem.tuwien.ac.at >>> <mailto:pblaha at theochem.tuwien.ac.at> >>> <mailto:pblaha at theochem.__tuwien.ac.at >>> <mailto:pblaha at theochem.tuwien.ac.at>>> wrote: >>> >>> My guess: >>> >>> Since this is such a short test calculation for a parallel >>> run, the NFS >>> might not have written all necessary files ?? >>> >>> Does the error occur in a sequential run ? >>> >>> or if you use only 2 parallel jobs ?? >>> >>> ls -als *error which error files are not empty ?? >>> >>> cat *.error (without space !) >>> >>> >>> On 03/22/2013 07:49 AM, Gavin Abo wrote: >>> >>> First, you entered the command incorrectly. There >>> should be no >>> space >>> between the '*' and '.error'. However, your lapw2 >>> error files still >>> seem to be empty. >>> >>> Second, did you compile Wien2k with -traceback in the >>> Compiler >>> options >>> line? If not, you need to add it, recompile, and run >>> the scf >>> again to >>> try to get more information on why lapw2 crashed. >>> >>> On 3/22/2013 12:35 AM, Mathrubutham Rajagopalan wrote: >>> >>> Dear Dr Gavin >>> >>> raja at ubuntu://home/raja/work/____Cu$ cat lapw2* >>> .error >>> >>> 2,'Cu.nsh', 'unknown','formatted',0 >>> 3,'Cu.in1', 'unknown','formatted',0 >>> 4,'Cu.inso', 'unknown','formatted',0 >>> 5,'Cu.in2', 'old', 'formatted',0 >>> 6,'Cu.output2','unknown','____formatted',0 >>> 7,'Cu.vorb','unknown','____formatted',0 >>> 8,'Cu.clmval','unknown','____formatted',0 >>> >>> 10,'./Cu.vector', 'unknown','unformatted',9000 >>> 11,'Cu.weight', 'unknown','formatted',0 >>> 13,'Cu.recprlist', 'unknown','unformatted',9000 >>> 14,'Cu.kgen', 'unknown','formatted',0 >>> 15,'Cu.tmp', 'unknown','unformatted',0 >>> 16,'Cu.qtl', 'unknown','formatted',0 >>> 17,'Cu.weightaver','unknown','____formatted',0 >>> >>> 18,'Cu.vsp', 'old', 'formatted',0 >>> 19,'Cu.vns', 'unknown','formatted',0 >>> 20,'Cu.struct', 'old', 'formatted',0 >>> 21,'Cu.scf2','unknown','____formatted',0 >>> >>> 22,'Cu.rotlm', 'unknown', 'formatted',0 >>> 23,'Cu.radwf', 'unknown', 'formatted',0 >>> 26,'Cu.weigh', 'unknown','unformatted',0 >>> 27,'Cu.weighdn', 'unknown','unformatted',0 >>> 29,'Cu.energydn','unknown','____formatted',0 >>> >>> 30,'Cu.energy', 'unknown','formatted',0 >>> 32,'Cu.qdmft', 'unknown', 'formatted',0 >>> 34,'Cu.oubwin', 'unknown', 'formatted',0 >>> 231,'Cu.dmftsym', 'unknown', 'formatted',0 >>> cat: .error: No such file or directory >>> raja at ubuntu://home/raja/work/____Cu$ >>> >>> >>> This is the error >>> >>> Raja >>> >>> On Fri, Mar 22, 2013 at 11:56 AM, Gavin Abo >>> <gsabo at crimson.ua.edu <mailto:gsabo at >>> crimson.ua.edu> >>> <mailto:gsabo at crimson.ua.edu <mailto:gsabo at crimson.ua.edu>> >>> <mailto:gsabo at crimson.ua.edu >>> <mailto:gsabo at crimson.ua.edu> <mailto:gsabo at crimson.ua.edu >>> <mailto:gsabo at crimson.ua.edu>>>__> >>> >>> wrote: >>> >>> What is the error in lapw2? >>> >>> The following command in a terminal while in >>> the case >>> directory >>> might give you more information on the cause >>> of the error: >>> >>> cat lapw2*.error >>> >>> >>> On 3/22/2013 12:03 AM, Mathrubutham >>> Rajagopalan wrote: >>> >>> Dear developers and users, >>> >>> Greetings! >>> Recently we installed recent Wien2k >>> version with >>> ubuntu OS in Dell server >>> It is running without any problem. >>> >>> We have done the k-point >>> parallelization.But it >>> gives the following error in lapw2. >>> we will be thankful to you if you can >>> suggest how >>> to overcome this >>> >>> regards >>> raja >>> >>> >>> start (Mon Mar 24 11:23:08 IST 2003) >>> with >>> lapw0 (40/99 to go) >>> >>> cycle 1 (Mon Mar 24 11:23:08 >>> IST 2003) >>> (40/99 to go) >>> >>> > lapw0 -p (11:23:08) starting >>> parallel >>> lapw0 at Mon Mar 24 11:23:08 IST 2003 >>> -------- .machine0 : processors >>> running lapw0 in single mode >>> 1.5u 0.1s 0:01.73 97.6% 0+0k 0+464io >>> 0pf+0w >>> > lapw1 -p -c (11:23:10) starting >>> parallel >>> lapw1 at Mon Mar 24 11:23:10 IST 2003 >>> -> starting parallel LAPW1 jobs at Mon >>> Mar 24 >>> 11:23:10 IST 2003 >>> running LAPW1 in parallel mode (using >>> .machines) >>> 4 number_of_parallel_jobs >>> ubuntu(11) ubuntu(11) >>> ubuntu(11) >>> ubuntu(11) ubuntu(1) ubuntu(1) >>> ubuntu(1) Summary of lapw1para: >>> ubuntu k=11 user=0 wallclock=11 >>> 0.0u 0.0s 0:02.29 5.2% 0+0k 0+2040io >>> 0pf+0w >>> > lapw2 -p -c (11:23:12) running >>> LAPW2 in >>> parallel mode >>> ** LAPW2 crashed! >>> 0.0u 0.0s 0:00.11 45.4% 0+0k 0+184io >>> 0pf+0w >>> error: command >>> /home/raja/wien2k/lapw2cpara -c >>> lapw2.def failed >>> >>> > stop error >>> >>> -- >>> */ >>> >>> Dr M.Rajagopalan >>> Emeritus Scientist (CSIR) >>> Crystal Growth Center 20 >>> 6th Main Road >>> Anna University Chromepet >>> Chennai 600 025 Chennai 600 044 >>> Phone # 22213023 (R) >>> 22359208 (O) >>> Mobile 9445125709 >>> >>> /* >>> >>> >>> >>> >>> >>> ___________________________________________________ >>> Wien mailing list >>> Wien at zeus.theochem.tuwien.ac.____at >>> <mailto:Wien at zeus.theochem.__tuwien.ac.at >>> <mailto:Wien at zeus.theochem.tuwien.ac.at>> >>> http://zeus.theochem.tuwien.____ac.at/mailman/listinfo/wien >>> <http://ac.at/mailman/listinfo/wien> >>> >>> <http://zeus.theochem.tuwien.__ac.at/mailman/listinfo/wien >>> <http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien>> >>> >>> >>> -- >>> >>> P.Blaha >>> >>> ------------------------------____----------------------------__--__-------------- >>> >>> >>> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 >>> Vienna >>> Phone: +43-1-58801-165300 <tel:%2B43-1-58801-165300> >>> <tel:%2B43-1-58801-165300> >>> FAX: +43-1-58801-165982 <tel:%2B43-1-58801-165982> >>> <tel:%2B43-1-58801-165982> >>> Email: blaha at theochem.tuwien.ac.at >>> <mailto:blaha at theochem.tuwien.ac.at> >>> <mailto:blaha at theochem.tuwien.__ac.at >>> <mailto:blaha at theochem.tuwien.ac.at>> WWW: >>> http://info.tuwien.ac.at/____theochem/ >>> <http://info.tuwien.ac.at/__theochem/> >>> <http://info.tuwien.ac.at/__theochem/ >>> <http://info.tuwien.ac.at/theochem/>> >>> >>> ------------------------------____----------------------------__--__-------------- >>> >>> >>> ___________________________________________________ >>> Wien mailing list >>> Wien at zeus.theochem.tuwien.ac.____at >>> <mailto:Wien at zeus.theochem.__tuwien.ac.at >>> <mailto:Wien at zeus.theochem.tuwien.ac.at>> >>> http://zeus.theochem.tuwien.____ac.at/mailman/listinfo/wien >>> <http://ac.at/mailman/listinfo/wien> >>> <http://zeus.theochem.tuwien.__ac.at/mailman/listinfo/wien >>> <http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien>> >>> >>> >>> >>> >>> >>> -- >>> */ >>> Dr M.Rajagopalan >>> Emeritus Scientist (CSIR) >>> Crystal Growth Center 20 6th Main Road >>> Anna University Chromepet >>> Chennai 600 025 Chennai 600 044 >>> Phone # 22213023 (R) >>> 22359208 (O) >>> Mobile 9445125709 >>> >>> /* >>> >>> >>> _________________________________________________ >>> Wien mailing list >>> Wien at zeus.theochem.tuwien.ac.__at >>> <mailto:Wien at zeus.theochem.tuwien.ac.at> >>> http://zeus.theochem.tuwien.__ac.at/mailman/listinfo/wien >>> <http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien> >>> >>> >>> -- >>> >>> P.Blaha >>> ------------------------------__------------------------------__-------------- >>> >>> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna >>> Phone: +43-1-58801-165300 <tel:%2B43-1-58801-165300> >>> FAX: +43-1-58801-165982 <tel:%2B43-1-58801-165982> >>> Email: blaha at theochem.tuwien.ac.at >>> <mailto:blaha at theochem.tuwien.ac.at> WWW: >>> http://info.tuwien.ac.at/__theochem/ >>> <http://info.tuwien.ac.at/theochem/> >>> ------------------------------__------------------------------__-------------- >>> >>> _________________________________________________ >>> Wien mailing list >>> Wien at zeus.theochem.tuwien.ac.__at >>> <mailto:Wien at zeus.theochem.tuwien.ac.at> >>> http://zeus.theochem.tuwien.__ac.at/mailman/listinfo/wien >>> <http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien> >>> >>> >>> >>> >>> -- >>> */ >>> Dr M.Rajagopalan >>> Emeritus Scientist (CSIR) >>> Crystal Growth Center 20 6th Main Road >>> Anna University Chromepet >>> Chennai 600 025 Chennai 600 044 >>> Phone # 22213023 (R) >>> 22359208 (O) >>> Mobile 9445125709 >>> >>> /* >>> >>> >>> _______________________________________________ >>> Wien mailing list >>> Wien at zeus.theochem.tuwien.ac.at >>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >>> >> > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- P.Blaha -------------------------------------------------------------------------- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/ --------------------------------------------------------------------------