From owner-chemistry@ccl.net Wed Oct 17 09:09:00 2018 From: "Igors Mihailovs igorsm*|*cfi.lu.lv" To: CCL Subject: CCL:G: Gaussian error : Error termination in NtrErr: NtrErr Called from FileI Message-Id: <-53512-181017033957-4932-mdL4XSWGGyWANYezqas2yg . server.ccl.net> X-Original-From: Igors Mihailovs Content-Language: en-US Content-Type: multipart/alternative; boundary="------------F562D95C5C1357FFFF5A63DD" Date: Wed, 17 Oct 2018 10:39:34 +0300 MIME-Version: 1.0 Sent to CCL by: Igors Mihailovs [igorsm ~ cfi.lu.lv] This is a multi-part message in MIME format. --------------F562D95C5C1357FFFF5A63DD Content-Type: text/plain; charset=utf-8; format=flowed Content-Transfer-Encoding: 7bit Dear Priyabrata, "Segmetation violation" and other errors Gaussian prints in terminal are generally useless for tracking back the error. NtrErr usually means that the program tries to read the checkpoint (or RWF?) but cannot, for example, there was no disk space and the information was not written in some previous steps. Is there also some message in the output like "Erroneous write" or "Operation on file out of range", or "No file to extend for", or "Transformation cannot fit into", or "File extend in NtrEx1 failed"? You can post last 10 lines of the file in this case, it might be helpful. Do this also if Ypu encounter other errors when there is no archive section at the end of the file; otherwise You need to compare with some successful job of the same type and post the differences in messages (not coordinates or like so, of course). Best regards, Igors Mihialovs On 10/15/18 8:28 AM, Priyabrata Das 1726601===iiitdmj.ac.in wrote: > Sent to CCL by: "Priyabrata Das" [1726601!^!iiitdmj.ac.in] > I am optimizing and calculation a molecule of 50 atoms using a command > > #p opt freq wb97xd/6-31+g* scrf=iefpcm > > now getting an error message > > 4 > Error: segmentation violation > rax 0000000000000000, rbx 0000000001263f80, rcx ffffffffffffffff > rdx 00000000000065e9, rsp 00007ffec6c90ee8, rbp 00007ffec6c90f10 > rsi 000000000000000b, rdi 00000000000065e9, r8 00002b7e7bfd82c0 > r9 0000000000000000, r10 00007ffec6c90c00, r11 0000000000000206 > r12 00007ffec6c910c8, r13 00007ffec6c910d0, r14 00007ffec6c910d8 > r15 00002b7e7cc98548 > --- traceback not available > > kindly give me some solution for this error> > --------------F562D95C5C1357FFFF5A63DD Content-Type: text/html; charset=utf-8 Content-Transfer-Encoding: 7bit Dear Priyabrata,

"Segmetation violation" and other errors Gaussian prints in terminal are generally useless for tracking back the error. NtrErr usually means that the program tries to read the checkpoint (or RWF?) but cannot, for example, there was no disk space and the information was not written in some previous steps. Is there also some message in the output like "Erroneous write" or "Operation on file out of range", or "No file to extend for", or "Transformation cannot fit into", or "File extend in NtrEx1 failed"? You can post last 10 lines of the file in this case, it might be helpful. Do this also if Ypu encounter other errors when there is no archive section at the end of the file; otherwise You need to compare with some successful job of the same type and post the differences in messages (not coordinates or like so, of course).

Best regards,
Igors Mihialovs

On 10/15/18 8:28 AM, Priyabrata Das 1726601===iiitdmj.ac.in wrote:
Sent to CCL by: "Priyabrata  Das" [1726601!^!iiitdmj.ac.in]
I am optimizing and calculation a molecule of 50 atoms using a command 

#p opt freq wb97xd/6-31+g* scrf=iefpcm

now getting an error message
 
4
Error: segmentation violation
   rax 0000000000000000, rbx 0000000001263f80, rcx ffffffffffffffff
   rdx 00000000000065e9, rsp 00007ffec6c90ee8, rbp 00007ffec6c90f10
   rsi 000000000000000b, rdi 00000000000065e9, r8  00002b7e7bfd82c0
   r9  0000000000000000, r10 00007ffec6c90c00, r11 0000000000000206
   r12 00007ffec6c910c8, r13 00007ffec6c910d0, r14 00007ffec6c910d8
   r15 00002b7e7cc98548
  --- traceback not available

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