Re: [Wien] some one using elast package can help me [INVALID INPUT PARAMETER]
hmmm, Thanks Prof. Marks for suggesting to try a manual approach and I found one case_scf* was missing. I managed many calculations with a script so in the problematic case, tetra__-4.0* calculations terminated incorrectly. Now, I managed the calculations. Thank you very much. Regards Bhamu On Thu, Sep 26, 2019 at 6:39 PM Dr. K. C. Bhamu wrote: > Thank you Prof. Gerhard and Marks, > I am checking the calculations manually and preparing *ene and *lat files. > I see some files are missing. > Will update here for final conclusions, what mistake I did. > Regards > Bhamu > > > > On Thu, Sep 26, 2019 at 6:32 PM Fecher, Gerhard > wrote: > >> Dear Bahmu, >> there are no changes in SRC_elast since 2013 (most are from 2002 !) that >> is, it should not matter which version one uses (supposed they are compiled >> correctly) >> >> ***MESSAGE FROM ROUTINE DPOLFT IN LIBRARY SLATEC. >> shows that a problem in anaelast appears when trying to fit the data for >> tetra (maybe later for rhomb, too) >> >> this means your tetra.lat and/or tera.ene files have a problem (and/or >> rhomb.ene and/or rhomb.lat) >> they should be created by the ana_elast_lapw script (not by the anaelast >> program !) >> the existence of eos.xxx files only is not enough ! >> >> Do all necessary files exist and are all names and directories correct ? >> >> Ciao >> Gerhard >> >> DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy: >> "I think the problem, to be quite honest with you, >> is that you have never actually known what the question is." >> >> >> Dr. Gerhard H. Fecher >> Institut of Inorganic and Analytical Chemistry >> Johannes Gutenberg - University >> 55099 Mainz >> and >> Max Planck Institute for Chemical Physics of Solids >> 01187 Dresden >> ____________ >> Von: Wien [wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von Dr. >> K. C. Bhamu [kcbham...@gmail.com] >> Gesendet: Donnerstag, 26. September 2019 14:39 >> An: A Mailing list for WIEN2k users >> Betreff: Re: [Wien] some one using elast package can help me [INVALID >> INPUT PARAMETER] >> >> Yes, I also doubt about energy but I could not find any energy related >> issue. >> Also, switching over Wien2k_18.2 is not an issue as other cases are >> working fine. >> Please find the data directory here >> https://we.tl/t-2d5o1Tp9e2 >> >> Regards >> Bhamu >> >> >> On Thu, Sep 26, 2019 at 5:45 PM Laurence Marks > <mailto:laurence.ma...@gmail.com>> wrote: >> Probably you have some incorrect energies or something else is wrong in >> one or more of your calculations. It might be that there is a format >> problem; if you used 19.1 to calculate use the 19.1 elastic package. And/or >> switch to only using 18.2. I suggest that you plot the values by hand, >> which may also indicate the problem. >> >> Without the actual values you used I doubt that anyone can help you much >> more than this. They would need to replicate the problem in order to solve >> it. >> >> _ >> Professor Laurence Marks >> "Research is to see what everybody else has seen, and to think what >> nobody else has thought", Albert Szent-Gyorgi >> www.numis.northwestern.edu<http://www.numis.northwestern.edu> >> >> On Thu, Sep 26, 2019, 06:59 Dr. K. C. Bhamu > kcbham...@gmail.com>> wrote: >> Dear Wien2k users, >> >> I am facing this issue, INVALID INPUT PARAMETER, first time and I could >> not figure it out how to solve this problem. >> I run a elastic calculation with very recent version of Wien2k and then >> tried to fit the data with Wien2k_18.2. >> For one case I do not see any issue but for another case (225 SG for both >> the case), ana_elast_lapw is not generating rhomb.strain rhomb.fit, >> tetra.strain, and tetra.fit in the */results/output data. >> my rhmob/tetra/eos.ene and hmob/tetra/eos.lat files in */results/output >> seems okay to me. >> The */results/*struct files are correctly read from its home dir (one >> step own dir). >> I compared the case with another case which has been compiled with no >> error/warning and I see no data file is missing. >> >> >> The message on screen I am getting is >> >> >> eos_ >> tetra_ >> rhomb_ >> *** >> *** >> We are calculating elastic tensor for >> F Cubic phase: >&g
Re: [Wien] some one using elast package can help me [INVALID INPUT PARAMETER]
Thank you Prof. Gerhard and Marks, I am checking the calculations manually and preparing *ene and *lat files. I see some files are missing. Will update here for final conclusions, what mistake I did. Regards Bhamu On Thu, Sep 26, 2019 at 6:32 PM Fecher, Gerhard wrote: > Dear Bahmu, > there are no changes in SRC_elast since 2013 (most are from 2002 !) that > is, it should not matter which version one uses (supposed they are compiled > correctly) > > ***MESSAGE FROM ROUTINE DPOLFT IN LIBRARY SLATEC. > shows that a problem in anaelast appears when trying to fit the data for > tetra (maybe later for rhomb, too) > > this means your tetra.lat and/or tera.ene files have a problem (and/or > rhomb.ene and/or rhomb.lat) > they should be created by the ana_elast_lapw script (not by the anaelast > program !) > the existence of eos.xxx files only is not enough ! > > Do all necessary files exist and are all names and directories correct ? > > Ciao > Gerhard > > DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy: > "I think the problem, to be quite honest with you, > is that you have never actually known what the question is." > > > Dr. Gerhard H. Fecher > Institut of Inorganic and Analytical Chemistry > Johannes Gutenberg - University > 55099 Mainz > and > Max Planck Institute for Chemical Physics of Solids > 01187 Dresden > > Von: Wien [wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von Dr. K. > C. Bhamu [kcbham...@gmail.com] > Gesendet: Donnerstag, 26. September 2019 14:39 > An: A Mailing list for WIEN2k users > Betreff: Re: [Wien] some one using elast package can help me [INVALID > INPUT PARAMETER] > > Yes, I also doubt about energy but I could not find any energy related > issue. > Also, switching over Wien2k_18.2 is not an issue as other cases are > working fine. > Please find the data directory here > https://we.tl/t-2d5o1Tp9e2 > > Regards > Bhamu > > > On Thu, Sep 26, 2019 at 5:45 PM Laurence Marks <mailto:laurence.ma...@gmail.com>> wrote: > Probably you have some incorrect energies or something else is wrong in > one or more of your calculations. It might be that there is a format > problem; if you used 19.1 to calculate use the 19.1 elastic package. And/or > switch to only using 18.2. I suggest that you plot the values by hand, > which may also indicate the problem. > > Without the actual values you used I doubt that anyone can help you much > more than this. They would need to replicate the problem in order to solve > it. > > _ > Professor Laurence Marks > "Research is to see what everybody else has seen, and to think what nobody > else has thought", Albert Szent-Gyorgi > www.numis.northwestern.edu<http://www.numis.northwestern.edu> > > On Thu, Sep 26, 2019, 06:59 Dr. K. C. Bhamu kcbham...@gmail.com>> wrote: > Dear Wien2k users, > > I am facing this issue, INVALID INPUT PARAMETER, first time and I could > not figure it out how to solve this problem. > I run a elastic calculation with very recent version of Wien2k and then > tried to fit the data with Wien2k_18.2. > For one case I do not see any issue but for another case (225 SG for both > the case), ana_elast_lapw is not generating rhomb.strain rhomb.fit, > tetra.strain, and tetra.fit in the */results/output data. > my rhmob/tetra/eos.ene and hmob/tetra/eos.lat files in */results/output > seems okay to me. > The */results/*struct files are correctly read from its home dir (one step > own dir). > I compared the case with another case which has been compiled with no > error/warning and I see no data file is missing. > > > The message on screen I am getting is > > > eos_ > tetra_ > rhomb_ > *** > *** > We are calculating elastic tensor for > F Cubic phase: >blebleble > At volume: > 1066.03 bohr^3 per formula > *** > *** > > > * > Birch Murnaghan fit done > > At volume= 1066.03 bohr^3 > Pressure is: 0.12 a.u. or 0.178 GPa > Bulk modulus is: 0.009284 a.u or 136.579 GPa=(C11+2C12)/3 > * > > Hit return to continue > > ***MESSAGE FROM ROUTINE DPOLFT IN LIBRARY SLATEC. > ***POTENTIALLY RECOVERABLE ERROR, PROG ABORTED, TRACEBACK REQUESTED > * INVALID INPUT PARAMETER. > * ERROR NUMBER = 2 > * > ***END OF MESSAGE > > ***JOB ABORT DUE TO UNRECOVERED ERROR. > 0 ERROR MESSAGE SUMMARY > LIBRARYSUBROUTINE
Re: [Wien] some one using elast package can help me [INVALID INPUT PARAMETER]
Dear Bahmu, there are no changes in SRC_elast since 2013 (most are from 2002 !) that is, it should not matter which version one uses (supposed they are compiled correctly) ***MESSAGE FROM ROUTINE DPOLFT IN LIBRARY SLATEC. shows that a problem in anaelast appears when trying to fit the data for tetra (maybe later for rhomb, too) this means your tetra.lat and/or tera.ene files have a problem (and/or rhomb.ene and/or rhomb.lat) they should be created by the ana_elast_lapw script (not by the anaelast program !) the existence of eos.xxx files only is not enough ! Do all necessary files exist and are all names and directories correct ? Ciao Gerhard DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy: "I think the problem, to be quite honest with you, is that you have never actually known what the question is." Dr. Gerhard H. Fecher Institut of Inorganic and Analytical Chemistry Johannes Gutenberg - University 55099 Mainz and Max Planck Institute for Chemical Physics of Solids 01187 Dresden Von: Wien [wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von Dr. K. C. Bhamu [kcbham...@gmail.com] Gesendet: Donnerstag, 26. September 2019 14:39 An: A Mailing list for WIEN2k users Betreff: Re: [Wien] some one using elast package can help me [INVALID INPUT PARAMETER] Yes, I also doubt about energy but I could not find any energy related issue. Also, switching over Wien2k_18.2 is not an issue as other cases are working fine. Please find the data directory here https://we.tl/t-2d5o1Tp9e2 Regards Bhamu On Thu, Sep 26, 2019 at 5:45 PM Laurence Marks mailto:laurence.ma...@gmail.com>> wrote: Probably you have some incorrect energies or something else is wrong in one or more of your calculations. It might be that there is a format problem; if you used 19.1 to calculate use the 19.1 elastic package. And/or switch to only using 18.2. I suggest that you plot the values by hand, which may also indicate the problem. Without the actual values you used I doubt that anyone can help you much more than this. They would need to replicate the problem in order to solve it. _ Professor Laurence Marks "Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi www.numis.northwestern.edu<http://www.numis.northwestern.edu> On Thu, Sep 26, 2019, 06:59 Dr. K. C. Bhamu mailto:kcbham...@gmail.com>> wrote: Dear Wien2k users, I am facing this issue, INVALID INPUT PARAMETER, first time and I could not figure it out how to solve this problem. I run a elastic calculation with very recent version of Wien2k and then tried to fit the data with Wien2k_18.2. For one case I do not see any issue but for another case (225 SG for both the case), ana_elast_lapw is not generating rhomb.strain rhomb.fit, tetra.strain, and tetra.fit in the */results/output data. my rhmob/tetra/eos.ene and hmob/tetra/eos.lat files in */results/output seems okay to me. The */results/*struct files are correctly read from its home dir (one step own dir). I compared the case with another case which has been compiled with no error/warning and I see no data file is missing. The message on screen I am getting is eos_ tetra_ rhomb_ *** *** We are calculating elastic tensor for F Cubic phase: blebleble At volume: 1066.03 bohr^3 per formula *** *** * Birch Murnaghan fit done At volume= 1066.03 bohr^3 Pressure is: 0.12 a.u. or 0.178 GPa Bulk modulus is: 0.009284 a.u or 136.579 GPa=(C11+2C12)/3 * Hit return to continue ***MESSAGE FROM ROUTINE DPOLFT IN LIBRARY SLATEC. ***POTENTIALLY RECOVERABLE ERROR, PROG ABORTED, TRACEBACK REQUESTED * INVALID INPUT PARAMETER. * ERROR NUMBER = 2 * ***END OF MESSAGE ***JOB ABORT DUE TO UNRECOVERED ERROR. 0 ERROR MESSAGE SUMMARY LIBRARYSUBROUTINE MESSAGE START NERR LEVEL COUNT SLATEC DPOLFT INVALID INPUT PARAME 2 1 1 ** Plotting results ** press RETURN to continue Do you want a hardcopy? (y/N) press RETURN to continue "tempor", line 4: warning: Cannot find or open file "tetra.strain" "tempor", line 4: warning: Cannot find or open file "tetra.fit" "tempor", line 4: No data in plot Do you want a hardcopy? (y/N) press RETURN to continue "tempor", line 4: warning: Cannot find or open file "rhomb.strain" "tempor", line 4: warning: Cannot find or open file "rhomb.fit" "tempor", line 4: No data in plot Do you want a hardcopy?
Re: [Wien] some one using elast package can help me [INVALID INPUT PARAMETER]
Yes, I also doubt about energy but I could not find any energy related issue. Also, switching over Wien2k_18.2 is not an issue as other cases are working fine. Please find the data directory here https://we.tl/t-2d5o1Tp9e2 Regards Bhamu On Thu, Sep 26, 2019 at 5:45 PM Laurence Marks wrote: > Probably you have some incorrect energies or something else is wrong in > one or more of your calculations. It might be that there is a format > problem; if you used 19.1 to calculate use the 19.1 elastic package. And/or > switch to only using 18.2. I suggest that you plot the values by hand, > which may also indicate the problem. > > Without the actual values you used I doubt that anyone can help you much > more than this. They would need to replicate the problem in order to solve > it. > > _ > Professor Laurence Marks > "Research is to see what everybody else has seen, and to think what nobody > else has thought", Albert Szent-Gyorgi > www.numis.northwestern.edu > > On Thu, Sep 26, 2019, 06:59 Dr. K. C. Bhamu wrote: > >> Dear Wien2k users, >> >> I am facing this issue, INVALID INPUT PARAMETER, first time and I could >> not figure it out how to solve this problem. >> I run a elastic calculation with very recent version of Wien2k and then >> tried to fit the data with Wien2k_18.2. >> For one case I do not see any issue but for another case (225 SG for both >> the case), ana_elast_lapw is not generating rhomb.strain rhomb.fit, >> tetra.strain, and tetra.fit in the */results/output data. >> my rhmob/tetra/eos.ene and hmob/tetra/eos.lat files in */results/output >> seems okay to me. >> The */results/*struct files are correctly read from its home dir (one >> step own dir). >> I compared the case with another case which has been compiled with no >> error/warning and I see no data file is missing. >> >> >> The message on screen I am getting is >> >> >> eos_ >> tetra_ >> rhomb_ >> *** >> *** >> We are calculating elastic tensor for >> F Cubic phase: >>blebleble >> >> At volume: >> 1066.03 bohr^3 per formula >> *** >> *** >> >> >> * >> Birch Murnaghan fit done >> >> At volume= 1066.03 bohr^3 >> Pressure is: 0.12 a.u. or 0.178 GPa >> Bulk modulus is: 0.009284 a.u or 136.579 GPa=(C11+2C12)/3 >> * >> >> Hit return to continue >> >> ***MESSAGE FROM ROUTINE DPOLFT IN LIBRARY SLATEC. >> ***POTENTIALLY RECOVERABLE ERROR, PROG ABORTED, TRACEBACK REQUESTED >> * INVALID INPUT PARAMETER. >> * ERROR NUMBER = 2 >> * >> ***END OF MESSAGE >> >> ***JOB ABORT DUE TO UNRECOVERED ERROR. >> 0 ERROR MESSAGE SUMMARY >> LIBRARYSUBROUTINE MESSAGE START NERR LEVEL COUNT >> SLATEC DPOLFT INVALID INPUT PARAME 2 1 1 >> >> >> ** >> Plotting results >> ** >> >> press RETURN to continue >> >> Do you want a hardcopy? (y/N) >> press RETURN to continue >> "tempor", line 4: warning: Cannot find or open file "tetra.strain" >> "tempor", line 4: warning: Cannot find or open file "tetra.fit" >> "tempor", line 4: No data in plot >> >> Do you want a hardcopy? (y/N) >> press RETURN to continue >> "tempor", line 4: warning: Cannot find or open file "rhomb.strain" >> "tempor", line 4: warning: Cannot find or open file "rhomb.fit" >> "tempor", line 4: No data in plot >> >> Do you want a hardcopy? (y/N) >> mv: No match. >> >> >> Any help will be appreciated. >> >> Regards >> Bhamu >> ___ >> Wien mailing list >> Wien@zeus.theochem.tuwien.ac.at >> >> https://urldefense.proofpoint.com/v2/url?u=http-3A__zeus.theochem.tuwien.ac.at_mailman_listinfo_wien=DwICAg=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0=lijmPdgURKLG8Jg1yGYgJRKN7TbUVllHL7wEWICSZmw=gjgKXw7in4dU-_DyiwF-R7H3gKY4B9D-KSSWbKLD91Q= >> SEARCH the MAILING-LIST at: >> https://urldefense.proofpoint.com/v2/url?u=http-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_index.html=DwICAg=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0=lijmPdgURKLG8Jg1yGYgJRKN7TbUVllHL7wEWICSZmw=Vb3tfWjMcKdmWWVWWIWDcyaWASQGOLlpnMatgIrn_GU= >> > ___ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] some one using elast package can help me [INVALID INPUT PARAMETER]
Probably you have some incorrect energies or something else is wrong in one or more of your calculations. It might be that there is a format problem; if you used 19.1 to calculate use the 19.1 elastic package. And/or switch to only using 18.2. I suggest that you plot the values by hand, which may also indicate the problem. Without the actual values you used I doubt that anyone can help you much more than this. They would need to replicate the problem in order to solve it. _ Professor Laurence Marks "Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi www.numis.northwestern.edu On Thu, Sep 26, 2019, 06:59 Dr. K. C. Bhamu wrote: > Dear Wien2k users, > > I am facing this issue, INVALID INPUT PARAMETER, first time and I could > not figure it out how to solve this problem. > I run a elastic calculation with very recent version of Wien2k and then > tried to fit the data with Wien2k_18.2. > For one case I do not see any issue but for another case (225 SG for both > the case), ana_elast_lapw is not generating rhomb.strain rhomb.fit, > tetra.strain, and tetra.fit in the */results/output data. > my rhmob/tetra/eos.ene and hmob/tetra/eos.lat files in */results/output > seems okay to me. > The */results/*struct files are correctly read from its home dir (one step > own dir). > I compared the case with another case which has been compiled with no > error/warning and I see no data file is missing. > > > The message on screen I am getting is > > > eos_ > tetra_ > rhomb_ > *** > *** > We are calculating elastic tensor for > F Cubic phase: >blebleble > > At volume: > 1066.03 bohr^3 per formula > *** > *** > > > * > Birch Murnaghan fit done > > At volume= 1066.03 bohr^3 > Pressure is: 0.12 a.u. or 0.178 GPa > Bulk modulus is: 0.009284 a.u or 136.579 GPa=(C11+2C12)/3 > * > > Hit return to continue > > ***MESSAGE FROM ROUTINE DPOLFT IN LIBRARY SLATEC. > ***POTENTIALLY RECOVERABLE ERROR, PROG ABORTED, TRACEBACK REQUESTED > * INVALID INPUT PARAMETER. > * ERROR NUMBER = 2 > * > ***END OF MESSAGE > > ***JOB ABORT DUE TO UNRECOVERED ERROR. > 0 ERROR MESSAGE SUMMARY > LIBRARYSUBROUTINE MESSAGE START NERR LEVEL COUNT > SLATEC DPOLFT INVALID INPUT PARAME 2 1 1 > > > ** > Plotting results > ** > > press RETURN to continue > > Do you want a hardcopy? (y/N) > press RETURN to continue > "tempor", line 4: warning: Cannot find or open file "tetra.strain" > "tempor", line 4: warning: Cannot find or open file "tetra.fit" > "tempor", line 4: No data in plot > > Do you want a hardcopy? (y/N) > press RETURN to continue > "tempor", line 4: warning: Cannot find or open file "rhomb.strain" > "tempor", line 4: warning: Cannot find or open file "rhomb.fit" > "tempor", line 4: No data in plot > > Do you want a hardcopy? (y/N) > mv: No match. > > > Any help will be appreciated. > > Regards > Bhamu > ___ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > > https://urldefense.proofpoint.com/v2/url?u=http-3A__zeus.theochem.tuwien.ac.at_mailman_listinfo_wien=DwICAg=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0=lijmPdgURKLG8Jg1yGYgJRKN7TbUVllHL7wEWICSZmw=gjgKXw7in4dU-_DyiwF-R7H3gKY4B9D-KSSWbKLD91Q= > SEARCH the MAILING-LIST at: > https://urldefense.proofpoint.com/v2/url?u=http-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_index.html=DwICAg=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0=lijmPdgURKLG8Jg1yGYgJRKN7TbUVllHL7wEWICSZmw=Vb3tfWjMcKdmWWVWWIWDcyaWASQGOLlpnMatgIrn_GU= > ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
[Wien] some one using elast package can help me [INVALID INPUT PARAMETER]
Dear Wien2k users, I am facing this issue, INVALID INPUT PARAMETER, first time and I could not figure it out how to solve this problem. I run a elastic calculation with very recent version of Wien2k and then tried to fit the data with Wien2k_18.2. For one case I do not see any issue but for another case (225 SG for both the case), ana_elast_lapw is not generating rhomb.strain rhomb.fit, tetra.strain, and tetra.fit in the */results/output data. my rhmob/tetra/eos.ene and hmob/tetra/eos.lat files in */results/output seems okay to me. The */results/*struct files are correctly read from its home dir (one step own dir). I compared the case with another case which has been compiled with no error/warning and I see no data file is missing. The message on screen I am getting is eos_ tetra_ rhomb_ *** *** We are calculating elastic tensor for F Cubic phase: blebleble At volume: 1066.03 bohr^3 per formula *** *** * Birch Murnaghan fit done At volume= 1066.03 bohr^3 Pressure is: 0.12 a.u. or 0.178 GPa Bulk modulus is: 0.009284 a.u or 136.579 GPa=(C11+2C12)/3 * Hit return to continue ***MESSAGE FROM ROUTINE DPOLFT IN LIBRARY SLATEC. ***POTENTIALLY RECOVERABLE ERROR, PROG ABORTED, TRACEBACK REQUESTED * INVALID INPUT PARAMETER. * ERROR NUMBER = 2 * ***END OF MESSAGE ***JOB ABORT DUE TO UNRECOVERED ERROR. 0 ERROR MESSAGE SUMMARY LIBRARYSUBROUTINE MESSAGE START NERR LEVEL COUNT SLATEC DPOLFT INVALID INPUT PARAME 2 1 1 ** Plotting results ** press RETURN to continue Do you want a hardcopy? (y/N) press RETURN to continue "tempor", line 4: warning: Cannot find or open file "tetra.strain" "tempor", line 4: warning: Cannot find or open file "tetra.fit" "tempor", line 4: No data in plot Do you want a hardcopy? (y/N) press RETURN to continue "tempor", line 4: warning: Cannot find or open file "rhomb.strain" "tempor", line 4: warning: Cannot find or open file "rhomb.fit" "tempor", line 4: No data in plot Do you want a hardcopy? (y/N) mv: No match. Any help will be appreciated. Regards Bhamu ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
