<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><DIV>Dear all</DIV>
<DIV><FONT face="times new roman, new york, times, serif"> <FONT size=4>we run neb calculation by using espresso 4.3.1 on parallization machine openmpi</FONT></FONT></DIV>
<DIV><FONT size=4 face="Times New Roman">we have this error </FONT></DIV>
<DIV>forrtl: No such file or directory<BR>forrtl: severe (28): CLOSE error, unit 16, file "Unknown"<BR>Image PC Routine Line Source <BR>neb.x 00000000009408CA Unknown Unknown Unknown<BR>neb.x 000000000093F445 Unknown Unknown
Unknown<BR>neb.x 00000000008DDF96 Unknown Unknown Unknown<BR>neb.x 0000000000878C45 Unknown Unknown Unknown<BR>neb.x 0000000000878401 Unknown Unknown Unknown<BR>neb.x 000000000086FCBD Unknown Unknown
Unknown<BR>neb.x 0000000000446386 close_files_ 42 close_files.f90<BR>neb.x 0000000000408888 compute_scf_IP_do 407 compute_scf.f90<BR>neb.x 0000000000406682 compute_scf_ 150 compute_scf.f90<BR>neb.x 00000000004139BF path_base_mp_sear 879 path_base.f90<BR> </DIV>
<DIV>The output file is</DIV>
<DIV> </DIV>
<DIV> Program NEB v.4.3.1 starts on 24Mar2012 at 16:26:48 </DIV>
<DIV> This program is part of the open-source Quantum ESPRESSO suite<BR> for quantum simulation of materials; please cite<BR> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);<BR> URL <A href="http://www.quantum-espresso.org">http://www.quantum-espresso.org</A>", <BR> in publications or presentations arising from this work. More details at<BR> <A href="http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO">http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO</A><BR> <BR> parsing_file_name: neb2<BR>Warning: card &IONS ignored<BR>Warning: card POT_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning: card WFC_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning:
card / ignored</DIV>
<DIV> Program NEB v.4.3.1 starts on 24Mar2012 at 16:26:48 </DIV>
<DIV> This program is part of the open-source Quantum ESPRESSO suite<BR> for quantum simulation of materials; please cite<BR> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);<BR> URL <A href="http://www.quantum-espresso.org">http://www.quantum-espresso.org</A>", <BR> in publications or presentations arising from this work. More details at<BR> <A href="http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO">http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO</A><BR> <BR> parsing_file_name: neb2</DIV>
<DIV> Program NEB v.4.3.1 starts on 24Mar2012 at 16:26:48 </DIV>
<DIV> This program is part of the open-source Quantum ESPRESSO suite<BR> for quantum simulation of materials; please cite<BR> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);<BR> URL <A href="http://www.quantum-espresso.org">http://www.quantum-espresso.org</A>", <BR> in publications or presentations arising from this work. More details at<BR> <A href="http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO">http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO</A><BR> <BR> parsing_file_name: neb2</DIV>
<DIV> Program NEB v.4.3.1 starts on 24Mar2012 at 16:26:48 </DIV>
<DIV> This program is part of the open-source Quantum ESPRESSO suite<BR> for quantum simulation of materials; please cite<BR> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);<BR> URL <A href="http://www.quantum-espresso.org">http://www.quantum-espresso.org</A>", <BR> in publications or presentations arising from this work. More details at<BR> <A href="http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO">http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO</A><BR> <BR> parsing_file_name: neb2</DIV>
<DIV> Program NEB v.4.3.1 starts on 24Mar2012 at 16:26:48 </DIV>
<DIV> This program is part of the open-source Quantum ESPRESSO suite<BR> for quantum simulation of materials; please cite<BR> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);<BR> URL <A href="http://www.quantum-espresso.org">http://www.quantum-espresso.org</A>", <BR> in publications or presentations arising from this work. More details at<BR> <A href="http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO">http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO</A><BR> <BR> parsing_file_name: neb2</DIV>
<DIV> Program NEB v.4.3.1 starts on 24Mar2012 at 16:26:48 </DIV>
<DIV> This program is part of the open-source Quantum ESPRESSO suite<BR> for quantum simulation of materials; please cite<BR> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);<BR> URL <A href="http://www.quantum-espresso.org">http://www.quantum-espresso.org</A>", <BR> in publications or presentations arising from this work. More details at<BR> <A href="http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO">http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO</A><BR> <BR> parsing_file_name: neb2</DIV>
<DIV> Program NEB v.4.3.1 starts on 24Mar2012 at 16:26:48 </DIV>
<DIV> This program is part of the open-source Quantum ESPRESSO suite<BR> for quantum simulation of materials; please cite<BR> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);<BR> URL <A href="http://www.quantum-espresso.org">http://www.quantum-espresso.org</A>", <BR> in publications or presentations arising from this work. More details at<BR> <A href="http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO">http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO</A><BR> <BR> parsing_file_name: neb2<BR>Warning: card &IONS ignored<BR>Warning: card POT_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning: card WFC_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning:
card / ignored<BR>Warning: card &IONS ignored<BR>Warning: card POT_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning: card WFC_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning: card / ignored<BR>Warning: card &IONS ignored<BR>Warning: card &IONS ignored<BR>Warning: card &IONS ignored<BR>Warning: card POT_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning: card WFC_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning: card / ignored<BR>Warning: card &IONS ignored<BR>Warning: card POT_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning: card WFC_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning: card / ignored<BR>Warning: card POT_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning: card POT_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning:
card WFC_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning: card / ignored<BR>Warning: card WFC_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning: card / ignored<BR> file N.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized<BR> file N.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized<BR> file N.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized<BR> file N.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized<BR> file N.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized<BR> file N.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized<BR> file N.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized<BR> file O.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized<BR>Warning: card
&IONS ignored<BR>Warning: card POT_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning: card WFC_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning: card / ignored<BR> file O.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized<BR>Warning: card &IONS ignored<BR>Warning: card POT_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning: card WFC_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning: card / ignored<BR> file O.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized<BR> file O.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized<BR>Warning: card &IONS ignored<BR> file O.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized<BR>Warning: card POT_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning: card WFC_EXTRAPOLATION =
"SECOND_ORDER", ignored<BR>Warning: card / ignored<BR>Warning: card &IONS ignored<BR>Warning: card POT_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning: card WFC_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning: card / ignored<BR>Warning: card &IONS ignored<BR>Warning: card POT_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning: card WFC_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning: card / ignored<BR> file O.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized<BR> file O.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized<BR>Warning: card &IONS ignored<BR>Warning: card &IONS ignored<BR>Warning: card POT_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning: card WFC_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning: card
/ ignored<BR>Warning: card POT_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning: card WFC_EXTRAPOLATION = "SECOND_ORDER", ignored<BR>Warning: card / ignored<BR> file N.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized<BR> file N.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized<BR> file N.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized<BR> file N.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized<BR> file N.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized<BR> file N.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized<BR> file N.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized<BR> file O.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized</DIV>
<DIV> initial path length = 36.4958 bohr<BR> initial inter-image distance = 6.0826 bohr<BR> <BR> string_method = neb<BR> restart_mode = from_scratch<BR> opt_scheme = broyden<BR> num_of_images = 7<BR>
nstep_path = 100<BR> CI_scheme = auto<BR> first_last_opt = F<BR> use_freezing = F<BR> ds = 1.0000 a.u.<BR>
k_max = 0.3000 a.u.<BR> k_min = 0.2000 a.u.<BR> suggested k_max = 0.6169 a.u.<BR> suggested k_min = 0.4112 a.u.<BR> path_thr = 0.1000 eV / A<BR> file O.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized</DIV>
<DIV> ------------------------------ iteration 1 ------------------------------</DIV>
<DIV> tcpu = 0.2 self-consistency for image 1<BR> file O.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized<BR> file O.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized<BR> file O.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized<BR> file O.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized<BR> file O.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized</DIV>
<DIV> initial path length = 36.4958 bohr<BR> initial inter-image distance = 6.0826 bohr<BR> <BR> string_method = neb<BR> restart_mode = from_scratch<BR> opt_scheme = broyden<BR> num_of_images = 7<BR>
nstep_path = 100<BR> CI_scheme = auto<BR> first_last_opt = F<BR> use_freezing = F<BR> ds = 1.0000 a.u.<BR>
k_max = 0.3000 a.u.<BR> k_min = 0.2000 a.u.<BR> suggested k_max = 0.6169 a.u.<BR> suggested k_min = 0.4112 a.u.<BR> path_thr = 0.1000 eV / A</DIV>
<DIV> initial path length = 36.4958 bohr<BR> initial inter-image distance = 6.0826 bohr<BR> <BR> string_method = neb<BR> restart_mode = from_scratch<BR> opt_scheme = broyden<BR> num_of_images = 7<BR>
nstep_path = 100<BR> CI_scheme = auto<BR> first_last_opt = F<BR> use_freezing = F<BR> ds = 1.0000 a.u.<BR>
k_max = 0.3000 a.u.</DIV>
<DIV> initial path length = 36.4958 bohr<BR> initial inter-image distance = 6.0826 bohr<BR> <BR> string_method = neb<BR> restart_mode = from_scratch<BR> k_min = 0.2000 a.u.<BR> opt_scheme = broyden<BR>
num_of_images = 7<BR> nstep_path = 100<BR> CI_scheme = auto<BR> first_last_opt = F<BR> use_freezing = F<BR> ds = 1.0000
a.u.<BR> k_max = 0.3000 a.u.<BR> k_min = 0.2000 a.u.<BR> suggested k_max = 0.6169 a.u.<BR> suggested k_min = 0.4112 a.u.<BR> path_thr = 0.1000 eV / A<BR> suggested
k_max = 0.6169 a.u.<BR> suggested k_min = 0.4112 a.u.<BR> path_thr = 0.1000 eV / A</DIV>
<DIV> initial path length = 36.4958 bohr<BR> initial inter-image distance = 6.0826 bohr<BR> <BR> string_method = neb<BR> restart_mode = from_scratch<BR> opt_scheme = broyden<BR> num_of_images = 7<BR>
nstep_path = 100<BR> CI_scheme = auto<BR> first_last_opt = F<BR> use_freezing = F<BR> ds = 1.0000 a.u.<BR>
k_max = 0.3000 a.u.<BR> k_min = 0.2000 a.u.<BR> suggested k_max = 0.6169 a.u.<BR> suggested k_min = 0.4112 a.u.<BR> path_thr = 0.1000 eV / A</DIV>
<DIV> initial path length = 36.4958 bohr<BR> initial inter-image distance = 6.0826 bohr<BR> <BR> string_method = neb<BR> restart_mode = from_scratch<BR> opt_scheme = broyden<BR> num_of_images = 7<BR>
nstep_path = 100<BR> CI_scheme = auto<BR> first_last_opt = F<BR> use_freezing = F<BR> ds = 1.0000 a.u.<BR>
k_max = 0.3000 a.u.</DIV>
<DIV> initial path length = 36.4958 bohr<BR> initial inter-image distance = 6.0826 bohr<BR> <BR> string_method = neb<BR> restart_mode = from_scratch<BR> opt_scheme = broyden<BR> num_of_images = 7<BR>
nstep_path = 100<BR> CI_scheme = auto<BR> first_last_opt = F<BR> use_freezing = F<BR> ds = 1.0000 a.u.<BR>
k_max = 0.3000 a.u.<BR> k_min = 0.2000 a.u.<BR> suggested k_max = 0.6169 a.u.<BR> suggested k_min = 0.4112 a.u.<BR> path_thr = 0.1000 eV / A<BR>
k_min = 0.2000 a.u.<BR> suggested k_max = 0.6169 a.u.<BR> suggested k_min = 0.4112 a.u.<BR> path_thr = 0.1000 eV / A</DIV>
<DIV> ------------------------------ iteration 1 ------------------------------</DIV>
<DIV> tcpu = 0.2 self-consistency for image 1</DIV>
<DIV> ------------------------------ iteration 1 ------------------------------</DIV>
<DIV> tcpu = 0.2 self-consistency for image 1</DIV>
<DIV> ------------------------------ iteration 1 ------------------------------</DIV>
<DIV> tcpu = 0.2 self-consistency for image 1</DIV>
<DIV> ------------------------------ iteration 1 ------------------------------</DIV>
<DIV> tcpu = 0.2 self-consistency for image 1</DIV>
<DIV> ------------------------------ iteration 1 ------------------------------</DIV>
<DIV><BR> ------------------------------ iteration 1 ------------------------------</DIV>
<DIV> tcpu = 0.2 self-consistency for image 1<BR> tcpu = 0.2 self-consistency for image 1<BR> tcpu = 30544.0 self-consistency for image 2<BR>forrtl: No such file or directory<BR>forrtl: severe (28): CLOSE error, unit 16, file "Unknown"<BR>Image PC Routine Line Source <BR>neb.x 00000000009408CA
Unknown Unknown Unknown<BR>neb.x 000000000093F445 Unknown Unknown Unknown<BR>neb.x 00000000008DDF96 Unknown Unknown Unknown<BR>neb.x 0000000000878C45 Unknown Unknown Unknown<BR>neb.x 0000000000878401
Unknown Unknown Unknown<BR>neb.x 000000000086FCBD Unknown Unknown Unknown<BR>neb.x 0000000000446386 close_files_ 42 close_files.f90<BR>neb.x 0000000000408888 compute_scf_IP_do 407 compute_scf.f90<BR>neb.x 0000000000406682
compute_scf_ 150 compute_scf.f90<BR>neb.x 00000000004139BF path_base_mp_sear 879 path_base.f90<BR>neb.x 00000000004060D0 MAIN__ 186 neb.f90<BR>neb.x 00000000004054BC Unknown Unknown Unknown<BR>libc.so.6 0000003A38C1D994
Unknown Unknown Unknown<BR>neb.x 00000000004053C9 Unknown Unknown Unknown<BR>forrtl: No such file or directory<BR>forrtl: severe (28): CLOSE error, unit 16, file "Unknown"<BR>Image PC Routine Line Source <BR>neb.x 00000000009408CA
Unknown Unknown Unknown<BR>neb.x 000000000093F445 Unknown Unknown Unknown<BR>neb.x 00000000008DDF96 Unknown Unknown Unknown<BR>neb.x 0000000000878C45 Unknown Unknown Unknown<BR>neb.x 0000000000878401
Unknown Unknown Unknown<BR>neb.x 000000000086FCBD Unknown Unknown Unknown<BR>neb.x 0000000000446386 close_files_ 42 close_files.f90<BR>neb.x 0000000000408888 compute_scf_IP_do 407 compute_scf.f90<BR>neb.x 0000000000406682
compute_scf_ 150 compute_scf.f90<BR>neb.x 00000000004139BF path_base_mp_sear 879 path_base.f90<BR>neb.x 00000000004060D0 MAIN__ 186 neb.f90<BR>neb.x 00000000004054BC Unknown Unknown Unknown<BR>libc.so.6 0000003A38C1D994
Unknown Unknown Unknown<BR>neb.x 00000000004053C9 Unknown Unknown Unknown<BR>forrtl: No such file or directory<BR>forrtl: severe (28): CLOSE error, unit 16, file "Unknown"<BR>Image PC Routine Line Source <BR>neb.x 00000000009408CA
Unknown Unknown Unknown<BR>neb.x 000000000093F445 Unknown Unknown Unknown<BR>neb.x 00000000008DDF96 Unknown Unknown Unknown<BR>neb.x 0000000000878C45 Unknown Unknown Unknown<BR>neb.x 0000000000878401
Unknown Unknown Unknown<BR>neb.x 000000000086FCBD Unknown Unknown Unknown<BR>neb.x 0000000000446386 close_files_ 42 close_files.f90<BR>neb.x 0000000000408888 compute_scf_IP_do 407 compute_scf.f90<BR>neb.x 0000000000406682
compute_scf_ 150 compute_scf.f90<BR>neb.x 00000000004139BF path_base_mp_sear 879 path_base.f90<BR>neb.x 00000000004060D0 MAIN__ 186 neb.f90<BR>neb.x 00000000004054BC Unknown Unknown Unknown<BR>libc.so.6 0000003A38C1D994
Unknown Unknown Unknown<BR>neb.x 00000000004053C9 Unknown Unknown Unknown<BR>forrtl: No such file or directory<BR>forrtl: severe (28): CLOSE error, unit 16, file "Unknown"<BR>Image PC Routine Line Source <BR>neb.x 00000000009408CA
Unknown Unknown Unknown<BR>neb.x 000000000093F445 Unknown Unknown Unknown<BR>neb.x 00000000008DDF96 Unknown Unknown Unknown<BR>neb.x 0000000000878C45 Unknown Unknown Unknown<BR>neb.x 0000000000878401
Unknown Unknown Unknown<BR>neb.x 000000000086FCBD Unknown Unknown Unknown<BR>neb.x 0000000000446386 close_files_ 42 close_files.f90<BR>neb.x 0000000000408888 compute_scf_IP_do 407 compute_scf.f90<BR>neb.x 0000000000406682
compute_scf_ 150 compute_scf.f90<BR>neb.x 00000000004139BF path_base_mp_sear 879 path_base.f90<BR>neb.x 00000000004060D0 MAIN__ 186 neb.f90<BR>neb.x 00000000004054BC Unknown Unknown Unknown<BR>libc.so.6 0000003A38C1D994
Unknown Unknown Unknown<BR>neb.x 00000000004053C9 Unknown Unknown Unknown<BR>forrtl: No such file or directory<BR>forrtl: severe (28): CLOSE error, unit 16, file "Unknown"<BR>Image PC Routine Line Source <BR>neb.x 00000000009408CA
Unknown Unknown Unknown<BR>neb.x 000000000093F445 Unknown Unknown Unknown<BR>neb.x 00000000008DDF96 Unknown Unknown Unknown<BR>neb.x 0000000000878C45 Unknown Unknown Unknown<BR>neb.x 0000000000878401
Unknown Unknown Unknown<BR>neb.x 000000000086FCBD Unknown Unknown Unknown<BR>neb.x 0000000000446386 close_files_ 42 close_files.f90<BR>neb.x 0000000000408888 compute_scf_IP_do 407 compute_scf.f90<BR>neb.x 0000000000406682
compute_scf_ 150 compute_scf.f90<BR>neb.x 00000000004139BF path_base_mp_sear 879 path_base.f90<BR>neb.x 00000000004060D0 MAIN__ 186 neb.f90<BR>neb.x 00000000004054BC Unknown Unknown Unknown<BR>libc.so.6 0000003A38C1D994
Unknown Unknown Unknown<BR>neb.x 00000000004053C9 Unknown Unknown Unknown<BR>forrtl: No such file or directory<BR>forrtl: severe (28): CLOSE error, unit 16, file "Unknown"<BR>Image PC Routine Line Source <BR>neb.x 00000000009408CA
Unknown Unknown Unknown<BR>neb.x 000000000093F445 Unknown Unknown Unknown<BR>neb.x 00000000008DDF96 Unknown Unknown Unknown<BR>neb.x 0000000000878C45 Unknown Unknown Unknown<BR>neb.x 0000000000878401
Unknown Unknown Unknown<BR>neb.x 000000000086FCBD Unknown Unknown Unknown<BR>neb.x 0000000000446386 close_files_ 42 close_files.f90<BR>neb.x 0000000000408888 compute_scf_IP_do 407 compute_scf.f90<BR>neb.x 0000000000406682
compute_scf_ 150 compute_scf.f90<BR>neb.x 00000000004139BF path_base_mp_sear 879 path_base.f90<BR>neb.x 00000000004060D0 MAIN__ 186 neb.f90<BR>neb.x 00000000004054BC Unknown Unknown Unknown<BR>libc.so.6 0000003A38C1D994
Unknown Unknown Unknown<BR>neb.x 00000000004053C9 Unknown Unknown Unknown<BR> tcpu = 63774.0 self-consistency for image 3<BR>(END) <BR> <EM><FONT face="times new roman, new york, times, serif">Does anyone know what might cause this behavior?</FONT></EM></DIV>
<DIV><EM><FONT face="times new roman, new york, times, serif">Dr.Ihsan Erikat</FONT></EM></DIV>
<DIV><EM><FONT face="times new roman, new york, times, serif">Jerash University-Jordan</FONT></EM></DIV>
<DIV><EM><FONT face="times new roman, new york, times, serif"><BR></FONT></EM> </DIV>
<DIV> </DIV></td></tr></table>