Re: [Wien] Error with NMR calculation
Dear Prof P. BLAHA the problem was resolved Thank you very much 2017-05-16 10:01 GMT+02:00 Peter Blaha <pbl...@theochem.tuwien.ac.at>: > It seems I have a different find_eferm.F routine with a patch when opening > weight files. > > Please try the attached subroutine (with wien2k_16.1). > > > On 05/15/2017 11:20 PM, karima Physique wrote: > >> Dear Prof P. Blaha >> >> Thank you for your answer >> I did the calculation again but I had the same error but when I used >> wien2k_14, the calculation ended without any error >> >> 2017-05-15 12:08 GMT+02:00 Peter Blaha <pbl...@theochem.tuwien.ac.at >> <mailto:pbl...@theochem.tuwien.ac.at>>: >> >> You case.in <http://case.in>* files are corrupted. Probably >> case.in2(c). >> >> On 05/15/2017 10:31 AM, karima Physique wrote: >> >> Sorry but I work on a material of which it is diamagnetic and >> this is >> already verified experimentally so I want an answer to my question >> >> 2017-05-15 8:57 GMT+02:00 Fecher, Gerhard <fec...@uni-mainz.de >> <mailto:fec...@uni-mainz.de> >> <mailto:fec...@uni-mainz.de <mailto:fec...@uni-mainz.de>>>: >> >> just a question, why do you expect a metal to be a diamagnetic >> material ? >> >> >> please check your input files whether or not they are 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 >> <mailto:wien-boun...@zeus.theochem.tuwien.ac.at> >> <mailto:wien-boun...@zeus.theochem.tuwien.ac.at >> <mailto:wien-boun...@zeus.theochem.tuwien.ac.at>>] im Auftrag von >> karima Physique [physique.kar...@gmail.com >> <mailto:physique.kar...@gmail.com> >> <mailto:physique.kar...@gmail.com >> >> <mailto:physique.kar...@gmail.com>>] >> >> Gesendet: Montag, 15. Mai 2017 00:31 >> An: A Mailing list for WIEN2k users >> Betreff: [Wien] Error with NMR calculation >> >> I launched the following commands : >> run_lapw >> x_nmr -mode in1 >> x_nmr -metal >> >> for NMR calculation of a diamagnetic material (metal) >> >> >> And I got the following error; >> >> EXECUTING: /home/Work/Wien2k/nmrc -case Dia -mode >> current >> -green -scratch ./ -noco-metal >> >> forrtl: severe (64): input conversion error, unit -5, file >> Internal >> List-Directed Read >> Image PCRoutineLine >> Source >> nmrc 0050A8D6 Unknown >> Unknown >> Unknown >> nmrc 00534B7A Unknown >> Unknown >> Unknown >> nmrc 005330FB Unknown >> Unknown >> Unknown >> nmrc 004F831F find_efer_1_ >>25 >> find_efer_tmp_.F >> nmrc 0041C811 init_nmr_ >>249 >> init_nmr.f >> nmrc 004194CA MAIN__ >>11 >> nmr.f >> nmrc 00404DDE Unknown >> Unknown >> Unknown >> libc-2.17.so <http://libc-2.17.so> >> <http://libc-2.17.so><http://libc-2.17.so <http://libc-2.17.so> >> <http://libc-2.17.so>> 2B9853511A15 >> __libc_start_main >>
Re: [Wien] Error with NMR calculation
It seems I have a different find_eferm.F routine with a patch when
opening weight files.
Please try the attached subroutine (with wien2k_16.1).
On 05/15/2017 11:20 PM, karima Physique wrote:
Dear Prof P. Blaha
Thank you for your answer
I did the calculation again but I had the same error but when I used
wien2k_14, the calculation ended without any error
2017-05-15 12:08 GMT+02:00 Peter Blaha <pbl...@theochem.tuwien.ac.at
<mailto:pbl...@theochem.tuwien.ac.at>>:
You case.in <http://case.in>* files are corrupted. Probably case.in2(c).
On 05/15/2017 10:31 AM, karima Physique wrote:
Sorry but I work on a material of which it is diamagnetic and
this is
already verified experimentally so I want an answer to my question
2017-05-15 8:57 GMT+02:00 Fecher, Gerhard <fec...@uni-mainz.de
<mailto:fec...@uni-mainz.de>
<mailto:fec...@uni-mainz.de <mailto:fec...@uni-mainz.de>>>:
just a question, why do you expect a metal to be a diamagnetic
material ?
please check your input files whether or not they are 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
<mailto:wien-boun...@zeus.theochem.tuwien.ac.at>
<mailto:wien-boun...@zeus.theochem.tuwien.ac.at
<mailto:wien-boun...@zeus.theochem.tuwien.ac.at>>] im Auftrag von
karima Physique [physique.kar...@gmail.com
<mailto:physique.kar...@gmail.com>
<mailto:physique.kar...@gmail.com
<mailto:physique.kar...@gmail.com>>]
Gesendet: Montag, 15. Mai 2017 00:31
An: A Mailing list for WIEN2k users
Betreff: [Wien] Error with NMR calculation
I launched the following commands :
run_lapw
x_nmr -mode in1
x_nmr -metal
for NMR calculation of a diamagnetic material (metal)
And I got the following error;
EXECUTING: /home/Work/Wien2k/nmrc -case Dia -mode current
-green -scratch ./ -noco-metal
forrtl: severe (64): input conversion error, unit -5, file
Internal
List-Directed Read
Image PCRoutineLine
Source
nmrc 0050A8D6 Unknown
Unknown
Unknown
nmrc 00534B7A Unknown
Unknown
Unknown
nmrc 005330FB Unknown
Unknown
Unknown
nmrc 004F831F find_efer_1_
25
find_efer_tmp_.F
nmrc 0041C811 init_nmr_
249
init_nmr.f
nmrc 004194CA MAIN__
11
nmr.f
nmrc 00404DDE Unknown
Unknown
Unknown
libc-2.17.so <http://libc-2.17.so>
<http://libc-2.17.so><http://libc-2.17.so <http://libc-2.17.so>
<http://libc-2.17.so>> 2B9853511A15 __libc_start_main
Unknown Unknown
nmrc 00404CE9 Unknown
Unknown
Unknown
stop error
How to correct this error
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Re: [Wien] Error with NMR calculation
Dear Prof P. Blaha Thank you for your answer I did the calculation again but I had the same error but when I used wien2k_14, the calculation ended without any error 2017-05-15 12:08 GMT+02:00 Peter Blaha <pbl...@theochem.tuwien.ac.at>: > You case.in* files are corrupted. Probably case.in2(c). > > On 05/15/2017 10:31 AM, karima Physique wrote: > >> Sorry but I work on a material of which it is diamagnetic and this is >> already verified experimentally so I want an answer to my question >> >> 2017-05-15 8:57 GMT+02:00 Fecher, Gerhard <fec...@uni-mainz.de >> <mailto:fec...@uni-mainz.de>>: >> >> just a question, why do you expect a metal to be a diamagnetic >> material ? >> >> >> please check your input files whether or not they are 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 >> <mailto:wien-boun...@zeus.theochem.tuwien.ac.at>] im Auftrag von >> karima Physique [physique.kar...@gmail.com >> <mailto:physique.kar...@gmail.com>] >> >> Gesendet: Montag, 15. Mai 2017 00:31 >> An: A Mailing list for WIEN2k users >> Betreff: [Wien] Error with NMR calculation >> >> I launched the following commands : >> run_lapw >> x_nmr -mode in1 >> x_nmr -metal >> >> for NMR calculation of a diamagnetic material (metal) >> >> >> And I got the following error; >> >> EXECUTING: /home/Work/Wien2k/nmrc -case Dia -mode current >> -green -scratch ./ -noco-metal >> >> forrtl: severe (64): input conversion error, unit -5, file Internal >> List-Directed Read >> Image PCRoutineLine >> Source >> nmrc 0050A8D6 Unknown Unknown >> Unknown >> nmrc 00534B7A Unknown Unknown >> Unknown >> nmrc 005330FB Unknown Unknown >> Unknown >> nmrc 004F831F find_efer_1_ 25 >> find_efer_tmp_.F >> nmrc 0041C811 init_nmr_ 249 >> init_nmr.f >> nmrc 004194CA MAIN__ 11 >> nmr.f >> nmrc 00404DDE Unknown Unknown >> Unknown >> libc-2.17.so <http://libc-2.17.so><http://libc-2.17.so >> <http://libc-2.17.so>> 2B9853511A15 __libc_start_main >> Unknown Unknown >> nmrc 00404CE9 Unknown Unknown >> Unknown >> >> stop error >> >> >> How to correct this error >> ___ >> Wien mailing list >> Wien@zeus.theochem.tuwien.ac.at <mailto:w...@zeus.theochem.tuw >> ien.ac.at> >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >> <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 >> <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/wi >> e...@zeus.theochem.tuwien.ac.at/index.html >> >> > -- > > P.Blaha > -- > Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna > Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 > Email: bl...@theochem.tuwien.ac.atWIEN2k: http://www.wien2k.at > WWW: http://www.imc.tuwien.ac.at/TC_Blaha > -- > > ___ > 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/wi > e...@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] Error with NMR calculation
You case.in* files are corrupted. Probably case.in2(c).
On 05/15/2017 10:31 AM, karima Physique wrote:
Sorry but I work on a material of which it is diamagnetic and this is
already verified experimentally so I want an answer to my question
2017-05-15 8:57 GMT+02:00 Fecher, Gerhard <fec...@uni-mainz.de
<mailto:fec...@uni-mainz.de>>:
just a question, why do you expect a metal to be a diamagnetic
material ?
please check your input files whether or not they are 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
<mailto:wien-boun...@zeus.theochem.tuwien.ac.at>] im Auftrag von
karima Physique [physique.kar...@gmail.com
<mailto:physique.kar...@gmail.com>]
Gesendet: Montag, 15. Mai 2017 00:31
An: A Mailing list for WIEN2k users
Betreff: [Wien] Error with NMR calculation
I launched the following commands :
run_lapw
x_nmr -mode in1
x_nmr -metal
for NMR calculation of a diamagnetic material (metal)
And I got the following error;
EXECUTING: /home/Work/Wien2k/nmrc -case Dia -mode current
-green -scratch ./ -noco-metal
forrtl: severe (64): input conversion error, unit -5, file Internal
List-Directed Read
Image PCRoutineLine
Source
nmrc 0050A8D6 Unknown Unknown
Unknown
nmrc 00534B7A Unknown Unknown
Unknown
nmrc 005330FB Unknown Unknown
Unknown
nmrc 004F831F find_efer_1_ 25
find_efer_tmp_.F
nmrc 0041C811 init_nmr_ 249
init_nmr.f
nmrc 004194CA MAIN__ 11
nmr.f
nmrc 00404DDE Unknown Unknown
Unknown
libc-2.17.so <http://libc-2.17.so><http://libc-2.17.so
<http://libc-2.17.so>> 2B9853511A15 __libc_start_main
Unknown Unknown
nmrc 00404CE9 Unknown Unknown
Unknown
stop error
How to correct this error
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--
P.Blaha
--
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: bl...@theochem.tuwien.ac.atWIEN2k: http://www.wien2k.at
WWW: http://www.imc.tuwien.ac.at/TC_Blaha
--
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Re: [Wien] Error with NMR calculation
Sorry but I work on a material of which it is diamagnetic and this is already verified experimentally so I want an answer to my question 2017-05-15 8:57 GMT+02:00 Fecher, Gerhard <fec...@uni-mainz.de>: > just a question, why do you expect a metal to be a diamagnetic material ? > > > please check your input files whether or not they are 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 karima > Physique [physique.kar...@gmail.com] > Gesendet: Montag, 15. Mai 2017 00:31 > An: A Mailing list for WIEN2k users > Betreff: [Wien] Error with NMR calculation > > I launched the following commands : > run_lapw > x_nmr -mode in1 > x_nmr -metal > > for NMR calculation of a diamagnetic material (metal) > > > And I got the following error; > > EXECUTING: /home/Work/Wien2k/nmrc -case Dia -mode current-green >-scratch ./ -noco-metal > > forrtl: severe (64): input conversion error, unit -5, file Internal > List-Directed Read > Image PCRoutineLineSource > nmrc 0050A8D6 Unknown Unknown Unknown > nmrc 00534B7A Unknown Unknown Unknown > nmrc 005330FB Unknown Unknown Unknown > nmrc 004F831F find_efer_1_ 25 > find_efer_tmp_.F > nmrc 0041C811 init_nmr_ 249 > init_nmr.f > nmrc 004194CA MAIN__ 11 nmr.f > nmrc 00404DDE Unknown Unknown Unknown > libc-2.17.so<http://libc-2.17.so> 2B9853511A15 > __libc_start_main Unknown Unknown > nmrc 00404CE9 Unknown Unknown Unknown > > stop error > > > How to correct this error > ___ > 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] Error with NMR calculation
just a question, why do you expect a metal to be a diamagnetic material ? please check your input files whether or not they are 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 karima Physique [physique.kar...@gmail.com] Gesendet: Montag, 15. Mai 2017 00:31 An: A Mailing list for WIEN2k users Betreff: [Wien] Error with NMR calculation I launched the following commands : run_lapw x_nmr -mode in1 x_nmr -metal for NMR calculation of a diamagnetic material (metal) And I got the following error; EXECUTING: /home/Work/Wien2k/nmrc -case Dia -mode current-green -scratch ./ -noco-metal forrtl: severe (64): input conversion error, unit -5, file Internal List-Directed Read Image PCRoutineLineSource nmrc 0050A8D6 Unknown Unknown Unknown nmrc 00534B7A Unknown Unknown Unknown nmrc 005330FB Unknown Unknown Unknown nmrc 004F831F find_efer_1_ 25 find_efer_tmp_.F nmrc 0041C811 init_nmr_ 249 init_nmr.f nmrc 004194CA MAIN__ 11 nmr.f nmrc 00404DDE Unknown Unknown Unknown libc-2.17.so<http://libc-2.17.so> 2B9853511A15 __libc_start_main Unknown Unknown nmrc 00404CE9 Unknown Unknown Unknown stop error How to correct this error ___ 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] Error with NMR calculation
I launched the following commands : run_lapw x_nmr -mode in1 x_nmr -metal for NMR calculation of a diamagnetic material (metal) And I got the following error; EXECUTING: /home/Work/Wien2k/nmrc -case Dia -mode current-green -scratch ./ -noco-metal forrtl: severe (64): input conversion error, unit -5, file Internal List-Directed Read Image PCRoutineLineSource nmrc 0050A8D6 Unknown Unknown Unknown nmrc 00534B7A Unknown Unknown Unknown nmrc 005330FB Unknown Unknown Unknown nmrc 004F831F find_efer_1_ 25 find_efer_tmp_.F nmrc 0041C811 init_nmr_ 249 init_nmr.f nmrc 004194CA MAIN__ 11 nmr.f nmrc 00404DDE Unknown Unknown Unknown libc-2.17.so 2B9853511A15 __libc_start_main Unknown Unknown nmrc 00404CE9 Unknown Unknown Unknown stop error How to correct this error ___ 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] Error in NMR calculation
Dear All, I ran into troubles when tried to calculate the NMR chemical shift. I used sodium chloride (NaCl) as a test. The scf finished nicely (in parallel mode), but when I did x_nmr_lapw -p (after x_nmr_lapw -mode in1 -focus Na) I got errors. The errors occur after the lapw2 run of the NMR calculation: EXECUTING: /home/n801/src/w2k/nmr -case nacl1 -mode current-green -scratch /home/n801/scratch/-noco The error message in nmr.err.1 was: forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PCRoutineLineSource nmr0059F5C9 Unknown Unknown Unknown nmr0059DF40 Unknown Unknown Unknown nmr0054E7D2 Unknown Unknown Unknown nmr00503AD8 Unknown Unknown Unknown nmr00509D0B Unknown Unknown Unknown libpthread.so.0003EF3E0F710 Unknown Unknown Unknown nmr004AB0F0 make_fopvec_green 281 make_fopvec_green_tmp_.F nmr0046E419 make_current_ 124 make_current_tmp_.F nmr0041608A MAIN__ 28 nmr.f nmr00403AD6 Unknown Unknown Unknown libc.so.6 003EF3A1ED1D Unknown Unknown Unknown nmr004039C9 Unknown Unknown Unknown My configurations: WIEN2k_13.1 (Release 17/6/2013) ifort version 14.0.1 composer_xe_2013_sp1.1.106/mkl CentOS release 6.4 Intel(R) Xeon(R) CPU E5-2667 v2 @ 3.30GHz I also attached the stdout messages of the NMR runs. Your help is very much appreciated. Regards SC Chung $ x_nmr_lapw -mode in1 -focus Na EXECUTING: /home/chung/src/w2k/nmr -case nacl1 -mode in1 -nodes 5 -green -ovlpmax 0.6 -focus Na :WARNINIG ATOM= 1 L= 0 HIGH OVERLAP between radial functions 0.84 setting new lo energy: 0.30 :WARNINIG ATOM= 1 L= 0 HIGH OVERLAP between radial functions 0.72 setting new lo energy: 0.80 :WARNINIG ATOM= 1 L= 0 HIGH OVERLAP between radial functions 0.61 setting new lo energy: 1.30 NUMBER OF RADIAL FUNCTIONS IN case.in1_nmr ATOM L=0 L=1 L=2 L=3 1 3 2 2 2 7 7 6 stop klist ready nmr: klists done cd ./nmr_q0 ... x lapw1 -nmr -p -scratch /home/chung/scratch/ starting parallel lapw1 at Mon Aug 11 14:31:58 JST 2014 - starting parallel LAPW1 jobs at Mon Aug 11 14:31:58 JST 2014 running LAPW1 in parallel mode (using .machines) 1 number_of_parallel_jobs bash: -c: line 0: syntax error near unexpected token `makescratch_lapw' bash: -c: line 0: `if ( ! -e /home/chung/scratch/ ) makescratch_lapw /home/chung/scratch/' [1] 18735 LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END real0m1.366s user0m19.086s sys 0m2.121s [1] + Done ( $remote $remotemachine cd $PWD;$t $ttt;rm -f .lock_$lockfile[$p] ) .time1_$loop fayalite01 fayalite01 fayalite01 fayalite01 fayalite01 fayalite01 fayalite01 fayalite01 fayalite01 fayalite01 fayalite01 fayalite01 fayalite01 fayalite01 fayalite01 fayalite01(47)Summary of lapw1para: fayalite01k=0 user=0 wallclock=0 0.095u 0.172s 0:03.40 7.6% 0+0k 0+232io 0pf+0w cd ./nmr_pqx ... x lapw1 -nmr -p -scratch /home/chung/scratch/ starting parallel lapw1 at Mon Aug 11 14:32:01 JST 2014 - starting parallel LAPW1 jobs at Mon Aug 11 14:32:01 JST 2014 running LAPW1 in parallel mode (using .machines) 1 number_of_parallel_jobs bash: -c: line 0: syntax error near unexpected token `makescratch_lapw' bash: -c: line 0: `if ( ! -e /home/chung/scratch/ ) makescratch_lapw /home/chung/scratch/' [1] 19030 LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END real0m1.368s user0m19.188s sys 0m2.041s [1] + Done ( $remote $remotemachine cd $PWD;$t $ttt;rm -f .lock_$lockfile[$p] ) .time1_$loop fayalite01 fayalite01 fayalite01 fayalite01 fayalite01 fayalite01 fayalite01 fayalite01 fayalite01 fayalite01 fayalite01 fayalite01 fayalite01 fayalite01 fayalite01 fayalite01(47)Summary of lapw1para: fayalite01k=0 user=0 wallclock=0 0.081u 0.184s 0:03.39 7.6% 0+0k 0+232io 0pf+0w cd ./nmr_mqx ... x lapw1 -nmr -p -scratch /home/chung/scratch/ starting parallel lapw1 at Mon Aug 11 14:32:05 JST 2014 - starting parallel LAPW1 jobs at Mon Aug 11 14:32:05 JST 2014 running LAPW1 in parallel mode (using .machines) 1 number_of_parallel_jobs bash: -c: line 0: syntax error near unexpected token
