From owner-chemistry@ccl.net Tue May 22 05:01:00 2012 From: "shamsa alina shamsa.pakistan ~~ yahoo.com" To: CCL Subject: CCL: termination error Message-Id: <-46947-120522045821-10961-+Ez6V/itBiRNG+p2KmwIHg^-^server.ccl.net> X-Original-From: "shamsa alina" Date: Tue, 22 May 2012 04:58:20 -0400 Sent to CCL by: "shamsa alina" [shamsa.pakistan=-=yahoo.com] hi everybody! I am running a simple optimization+Freq. job, for a X shape molecule but it is not normally terminating, its giving an error as following : " Erroneous write. Write 331275936 instead of 540503040. fd = 4 orig len = 540503040 left = 540503040 g_write ' I could not get what does it mean,and what is this no. values where should i substitute it ? same error was present in the Pbs file . please guide me about this if u know it.thanks From owner-chemistry@ccl.net Tue May 22 08:11:01 2012 From: "Jean Jules FIFEN julesfifen-#-gmail.com" To: CCL Subject: CCL: termination error Message-Id: <-46948-120522060751-11938-wYvFjSzW+By7szwHaIgRWg[A]server.ccl.net> X-Original-From: Jean Jules FIFEN Content-Type: multipart/alternative; boundary=20cf303ddbdca66d1504c09d3082 Date: Tue, 22 May 2012 11:07:45 +0100 MIME-Version: 1.0 Sent to CCL by: Jean Jules FIFEN [julesfifen*|*gmail.com] --20cf303ddbdca66d1504c09d3082 Content-Type: text/plain; charset=ISO-8859-1 what software do you use? On 22 May 2012 09:58, shamsa alina shamsa.pakistan ~~ yahoo.com < owner-chemistry(a)ccl.net> wrote: > > Sent to CCL by: "shamsa alina" [shamsa.pakistan=-=yahoo.com] > hi everybody! > I am running a simple optimization+Freq. job, for a X shape > molecule but it is not normally terminating, its giving an error as > following : > > " Erroneous write. Write 331275936 instead of 540503040. > fd = 4 > orig len = 540503040 left = 540503040 > g_write ' > I could not get what does it mean,and what is this no. values where > should i substitute it ? same error was present in the Pbs file . > please guide me about this if u know it.thanks> > > -- Jules. --20cf303ddbdca66d1504c09d3082 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable
what software do you use?

On 22 May 2012 09:58, shamsa alina shamsa.pakist= an ~~ yahoo.com <owner-chemistry(a)cc= l.net> wrote:

Sent to CCL by: "shamsa =A0a= lina" [shamsa.pakistan=3D-=3Dyahoo.com]
hi everybody!
=A0 =A0 =A0 =A0 =A0 =A0 =A0 I am running a simple optimiza= tion+Freq. =A0job, for a X shape molecule but it is not normally terminatin= g, its giving an error as following :

=A0" Erroneous write. Wri= te 331275936 instead of 540503040.
fd =3D 4
orig len =3D 540503040 left =3D 540503040
g_write =A0'=A0I could not get what does it mean,and what is this no. values where sh= ould i substitute it ? same error was present in the =A0Pbs file .
pleas= e guide me about this if u know it.thanks



-=3D This is automatically added to each message by the mailing= script =3D-
To recover the email address of the author of the message, = please change
the strange characters on the top line to the (a) sign. You = can also
E-mail to subs= cribers: CHEMISTRY(a)ccl.net or use:=
=A0 =A0 =A0http://www.ccl.net/cgi-bin/ccl/send_ccl_message

E-mail to administrators: = CHEMISTRY-REQUEST(a)ccl.net or use
=A0 =A0 =A0http://www.ccl.net/cg= i-bin/ccl/send_ccl_message

Subscribe/Unsubscribe:
=A0 =A0 =A0http://www.ccl.net/chemistry/sub_u= nsub.shtml

Before posting, check wait time at: http://www.ccl.net

Job: http://www.c= cl.net/jobs
Conferences: http://server.ccl.net/chemist= ry/announcements/conferences/

Search Messages: http://www.ccl.net/chemistry/searchccl/index.sht= ml
=A0= =A0 =A0http:= //www.ccl.net/spammers.txt

RTFI: http://www.ccl.net/chemistry/aboutccl/instructions/




--
Jules.

--20cf303ddbdca66d1504c09d3082-- From owner-chemistry@ccl.net Tue May 22 08:46:01 2012 From: "Javier Cerezo jcb1{=}um.es" To: CCL Subject: CCL:G: termination error Message-Id: <-46949-120522061039-16574-fdFlRZZXacmbtKhw5N3s9g~!~server.ccl.net> X-Original-From: Javier Cerezo Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Tue, 22 May 2012 12:10:37 +0200 MIME-Version: 1.0 Sent to CCL by: Javier Cerezo [jcb1..um.es] Hi Googling some time ago, I found this website, where some common Gaussian output errors are identified: http://biowulf.nih.gov/apps/gaussian/#errors According to this site, your error is related to "Disk quota or disk size exceeded. Could also be disk failure or NFS timeout." So, check the disk usage (e.g. using "du -h" command) on the disk where you were storing the chk and the rest of the files. If full, make some space and try again. Javier El 22/05/12 10:58, shamsa alina shamsa.pakistan ~~ yahoo.com escribió: > Sent to CCL by: "shamsa alina" [shamsa.pakistan=-=yahoo.com] > hi everybody! > I am running a simple optimization+Freq. job, for a X shape molecule but it is not normally terminating, its giving an error as following : > > " Erroneous write. Write 331275936 instead of 540503040. > fd = 4 > orig len = 540503040 left = 540503040 > g_write ' > I could not get what does it mean,and what is this no. values where should i substitute it ? same error was present in the Pbs file . > please guide me about this if u know it.thanks> > -- Javier CEREZO BASTIDA PhD Student Physical Chemistry Universidad de Murcia Murcia (Spain) Tel: (+34)868887434 From owner-chemistry@ccl.net Tue May 22 09:21:00 2012 From: "Close, David M. CLOSED::mail.etsu.edu" To: CCL Subject: CCL: termination error Message-Id: <-46950-120522084850-7335-vTNadJya0LVsAKS95FiKMQ]=[server.ccl.net> X-Original-From: "Close, David M." Content-Language: en-US Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset="us-ascii" Date: Tue, 22 May 2012 12:48:30 +0000 MIME-Version: 1.0 Sent to CCL by: "Close, David M." [CLOSED:+:mail.etsu.edu] Shamsa: Not easy to tell what is wrong. I cannot tell what program you are using. You want to do an optimization and a frequency calculation. Did the optimization finish? When I see an "erroneous write" this makes me think that there is not enough disk space to write a scratch file. Frequency calculations require a lot of scratch disk space. So if the optimization worked, but the frequency calculation failed and produced this erroneous write statement, then likely you are exceeding a present limit on how much disk space is available. Regards, Dave Close. -----Original Message----- > From: owner-chemistry+closed==etsu.edu-$-ccl.net [mailto:owner-chemistry+closed==etsu.edu-$-ccl.net] On Behalf Of shamsa alina shamsa.pakistan ~~ yahoo.com Sent: Tuesday, May 22, 2012 4:58 AM To: Close, David M. Subject: CCL: termination error Sent to CCL by: "shamsa alina" [shamsa.pakistan=-=yahoo.com] hi everybody! I am running a simple optimization+Freq. job, for a X shape molecule but it is not normally terminating, its giving an error as following : " Erroneous write. Write 331275936 instead of 540503040. fd = 4 orig len = 540503040 left = 540503040 g_write ' I could not get what does it mean,and what is this no. values where should i substitute it ? same error was present in the Pbs file . please guide me about this if u know it.thankshttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt From owner-chemistry@ccl.net Tue May 22 10:02:00 2012 From: "shamsa alina shamsa.pakistan#yahoo.com" To: CCL Subject: CCL:G: termination error Message-Id: <-46951-120522100049-644-UeiMiEo8EMuEkxIrnAwoQA*|*server.ccl.net> X-Original-From: "shamsa alina" Date: Tue, 22 May 2012 10:00:47 -0400 Sent to CCL by: "shamsa alina" [shamsa.pakistan|a|yahoo.com] hi everybody! I am running a simple optimization+Freq. job, for a X shape molecule using Gaussian , input file is like this : %nprocshared=8 %mem=8GB %chk=BDSiT-4TT-4TPA.chk # opt freq pbe1pbe/6-31g(d) but it is not normally terminating, its giving an error as following : " Erroneous write. Write 331275936 instead of 540503040. fd = 4 orig len = 540503040 left = 540503040 g_write ' I could not get what does it mean,and what is this no. values where should i substitute it ? same error was present in the Pbs file . please guide me about this if u know it.thanks From owner-chemistry@ccl.net Tue May 22 11:30:01 2012 From: "Felipe Pineda pideca!A!hotmail.com" To: CCL Subject: CCL:G: termination error Message-Id: <-46952-120522085417-30386-IJU5tTo3Ph5S+qd0mwNyPw_._server.ccl.net> X-Original-From: Felipe Pineda Content-Type: multipart/alternative; boundary="_3a0d7a2e-98fe-4725-b8ac-7d9732701c1a_" Date: Tue, 22 May 2012 14:54:05 +0200 MIME-Version: 1.0 Sent to CCL by: Felipe Pineda [pideca]=[hotmail.com] --_3a0d7a2e-98fe-4725-b8ac-7d9732701c1a_ Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable I asked myself the same question=2C but got to the conclusion that CCL is k= inda unofficial Gaussian support service ... =3B-) Thus=2C by default G is = the software in the queries=2C or? Felipe > From: owner-chemistry ~ ccl.net To: fpineda ~ uni-bonn.de Subject: CCL: termination error Date: Tue=2C 22 May 2012 11:07:45 +0100 what software do you use? On 22 May 2012 09:58=2C shamsa alina shamsa.pakistan ~~ yahoo.com wrote: Sent to CCL by: "shamsa alina" [shamsa.pakistan=3D-=3Dyahoo.com] hi everybody! I am running a simple optimization+Freq. job=2C for a X shap= e molecule but it is not normally terminating=2C its giving an error as fol= lowing : " Erroneous write. Write 331275936 instead of 540503040. fd =3D 4 orig len =3D 540503040 left =3D 540503040 g_write ' I could not get what does it mean=2Cand what is this no. values where shou= ld i substitute it ? same error was present in the Pbs file . please guide me about this if u know it.thanks -=3D This is automatically added to each message by the mailing script =3D- To recover the email address of the author of the message=2C please change the strange characters on the top line to the : sign. You can also
I asked myself the same question=2C but got to the conclusion that CCL is k= inda unofficial Gaussian support service ... =3B-) Thus=2C by default G is = the software in the queries=2C or?

Felipe

From: owner-chemistry ~ ccl.netTo: fpineda ~ uni-bonn.de
Subject: CCL: termination error
Date: Tue= =2C 22 May 2012 11:07:45 +0100

what software do you= use?

On 22 May 2012 09:58=2C shamsa alina shamsa.p= akistan ~~ yahoo.com <=3Bowner= -chemistry : ccl.net>=3B wrote:

Sent to CCL by: "shamsa  =3Balina" [shamsa.paki= stan=3D-=3Dyahoo.com] hi everybody!
 =3B  =3B  =3B  =3B  =3B  =3B &nbs= p=3B I am running a simple optimization+Freq.  =3Bjob=2C for a X shape = molecule but it is not normally terminating=2C its giving an error as follo= wing :

 =3B" Erroneous write. Write 331275936 instead of 5405030= 40.
fd =3D 4
orig len =3D 540503040 left =3D 540503040
g_write  =3B'<= br> =3BI could not get what does it mean=2Cand what is this no. values = where should i substitute it ? same error was present in the  =3BPbs fi= le .
please guide me about this if u know it.thanks



-=3D This is automatically added to each message by the mailing= script =3D-
To recover the email address of the author of the message= =2C please change
the strange characters on the top line to the : sign= . You can also<=3Bbr

E-mail to subscribers: CHEMISTRY : ccl.net or use:
 =3B  =3B &= nbsp=3Bhttp://www.ccl.net/cgi-bin/ccl/send_ccl_message

E-mail to administrators: CHEMISTRY-REQUEST : ccl.net or use
 =3B  =3B  =3B<= a href=3D"http://www.ccl.net/cgi-bin/ccl/send_ccl_message" target=3D"_blank= ">http://www.ccl.net/cgi-bin/ccl/send_ccl_message

Subscribe/Unsubscribe:
 =3B  =3B  =3Bhttp://www.ccl.net/= chemistry/sub_unsub.shtml

Before posting=2C check wait time at: = http://www.ccl.net
Job: http://www.c= cl.net/jobs
Conferences: http://server.ccl.net/chemist= ry/announcements/conferences/

Search Messages: http://www.ccl.net/chemistry/searchccl/index.sht= ml
<=3Bbr
 =3B  =3B  =3Bhttp://www.ccl.net/spammers.txt

RTFI: http://www.ccl.net/chemistry/aboutccl/instructions/




--
Jules.

= --_3a0d7a2e-98fe-4725-b8ac-7d9732701c1a_-- From owner-chemistry@ccl.net Tue May 22 12:05:00 2012 From: "Tymofii Nikolaienko tim_mail^^^ukr.net" To: CCL Subject: CCL: termination error Message-Id: <-46953-120522090845-710-dEZ8JbAsKzHKf6jXauTNHA(a)server.ccl.net> X-Original-From: Tymofii Nikolaienko Content-Type: multipart/alternative; boundary="------------040701010002070500060403" Date: Tue, 22 May 2012 16:08:29 +0300 MIME-Version: 1.0 Sent to CCL by: Tymofii Nikolaienko [tim_mail%ukr.net] This is a multi-part message in MIME format. --------------040701010002070500060403 Content-Type: text/plain; charset=windows-1251; format=flowed Content-Transfer-Encoding: 7bit Dear Alina ! It seems to me that there might be not enough space on disk or memory to finish the job... What is the method you use? How large is your system? Sincerely Tymofii Nikolaienko 22.05.2012 11:58, shamsa alina shamsa.pakistan ~~ yahoo.com wrote: > Sent to CCL by: "shamsa alina" [shamsa.pakistan=-=yahoo.com] > hi everybody! > I am running a simple optimization+Freq. job, for a X shape molecule but it is not normally terminating, its giving an error as following : > > " Erroneous write. Write 331275936 instead of 540503040. > fd = 4 > orig len = 540503040 left = 540503040 > g_write ' > I could not get what does it mean,and what is this no. values where should i substitute it ? same error was present in the Pbs file . > please guide me about this if u know it.thanks> > > > > --------------040701010002070500060403 Content-Type: text/html; charset=windows-1251 Content-Transfer-Encoding: 7bit Dear Alina !

It seems to me that there might be not enough space on disk or memory to finish the job...
What is the method you use? How large is your system?


Sincerely
Tymofii Nikolaienko





22.05.2012 11:58, shamsa alina shamsa.pakistan ~~ yahoo.com wrote:
Sent to CCL by: "shamsa  alina" [shamsa.pakistan=-=yahoo.com]
hi everybody!
               I am running a simple optimization+Freq.  job, for a X shape molecule but it is not normally terminating, its giving an error as following :

 " Erroneous write. Write 331275936 instead of 540503040.
fd = 4
orig len = 540503040 left = 540503040
g_write  '
 I could not get what does it mean,and what is this no. values where should i substitute it ? same error was present in the  Pbs file .
please guide me about this if u know it.thanksE-mail to subscribers: CHEMISTRY..ccl.net or use:
      http://www.ccl.net/cgi-bin/ccl/send_ccl_message

E-mail to administrators: CHEMISTRY-REQUEST..ccl.net or use
      http://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtml

Before posting, check wait time at: http://www.ccl.net

Job: http://www.ccl.net/jobs 
Conferences: http://server.ccl.net/chemistry/announcements/conferences/

Search Messages: http://www.ccl.net/chemistry/searchccl/index.shtmlhttp://www.ccl.net/spammers.txt

RTFI: http://www.ccl.net/chemistry/aboutccl/instructions/





--------------040701010002070500060403-- From owner-chemistry@ccl.net Tue May 22 12:40:00 2012 From: "Shamsa Malik shamsa.pakistan|a|yahoo.com" To: CCL Subject: CCL:G: termination error Message-Id: <-46954-120522095435-27006-WNBesjF82lBxC+xl+eWFgA-*-server.ccl.net> X-Original-From: Shamsa Malik Content-Type: multipart/alternative; boundary="877458626-858859470-1337694866=:73104" Date: Tue, 22 May 2012 06:54:26 -0700 (PDT) MIME-Version: 1.0 Sent to CCL by: Shamsa Malik [shamsa.pakistan_+_yahoo.com] --877458626-858859470-1337694866=:73104 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable =0A=0A=A0I am using Gaussian 09=0A=0ARegards=0A=0AShamsa Alina=0APhD - Chem= istry (2010-14)=0ANorth East Normal University (NENU)=0AChangchun , Jilin ,= PR China=0A=0A=0A=0A________________________________=0A From: Jean Jules F= IFEN julesfifen-#-gmail.com =0ATo: "Alina, Shamsa = " =0ASent: Tuesday, May 22, 2012 6:07 P= M=0ASubject: CCL: termination error=0A =0A=0Awhat software do you use?=0A= =0A=0AOn 22 May 2012 09:58, shamsa alina shamsa.pakistan ~~ yahoo.com wrote:=0A=0A=0A>Sent to CCL by: "shamsa =A0alina" [s= hamsa.pakistan=3D-=3Dyahoo.com]=0A>hi everybody!=0A>=A0 =A0 =A0 =A0 =A0 =A0= =A0 I am running a simple optimization+Freq. =A0job, for a X shape molecul= e but it is not normally terminating, its giving an error as following :=0A= >=0A>=A0" Erroneous write. Write 331275936 instead of 540503040.=0A>fd =3D = 4=0A>orig len =3D 540503040 left =3D 540503040=0A>g_write =A0'=0A>=A0I coul= d not get what does it mean,and what is this no. values where should i subs= titute it ? same error was present in the =A0Pbs file .=0A>please guide me = about this if u know it.thanks=0A>=0A>=0A>=0A>-=3D This is automatically ad= ded to each message by the mailing script =3D-=0A>To recover the email addr= ess of the author of the message, please change=0A>the strange characters o= n the top line to the : sign. You can also=0A>=0A>E-mail to subscribers: = CHEMISTRY : ccl.net or use:=0A>=A0 =A0 =A0http://www.ccl.net/cgi-bin/ccl/se= nd_ccl_message=0A>=0A>E-mail to administrators: CHEMISTRY-REQUEST : ccl.net= or use=0A>=A0 =A0 =A0http://www.ccl.net/cgi-bin/ccl/send_ccl_message=0A>= =0A>Subscribe/Unsubscribe:=0A>=A0 =A0 =A0http://www.ccl.net/chemistry/sub_u= nsub.shtml=0A>=0A/= =0A>=0A>Job: http://www.ccl.net/jobs=0A>Conferences: http://server.ccl.net/= chemistry/announcements/conferences/=0A>=0A>Search Messages: http://www.ccl= .net/chemistry/searchccl/index.shtml=0A>=0A>=A0 =A0 =A0http://www.ccl.net/s= pammers.txt=0A>=0A>RTFI: http://www.ccl.net/chemistry/aboutccl/instructions= /=0A>=0A>=0A>=0A=0A=0A-- =0A=0AJules. --877458626-858859470-1337694866=:73104 Content-Type: text/html; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable
&nb= sp;I am using Gaussian 09
R= egards

Sh= amsa Alina

PhD - Chemistry (20= 10-14)
North East Normal University (NENU)
C= hangchun , Jilin , PR China



From: Jean Jules FIFEN julesfifen-#-gmail.com <owner-ch= emistry/a\ccl.net>
To: "Alina, Shamsa " <shamsa.pakistan/a\yahoo.com>
Sent: Tuesday, May 22, 2012 6:07 PM=
Subject: CCL: termina= tion error

=0A
what= software do you use?

=0A
On 22 May 2012 09:58, shamsa alina shamsa.pakistan ~~ yahoo.com <owner-chemist= ry : ccl.net> wrote:
=0A=0A

Sent to CCL by: "shamsa  alina" [shamsa.pakis= tan=3D-=3D= yahoo.com]
=0Ahi everybody!
          &n= bsp;   I am running a simple optimization+Freq.  job, for a X sha= pe molecule but it is not normally terminating, its giving an error as foll= owing :

 " Erroneous write. Write 331275936 instead of 54050304= 0.
=0Afd =3D 4
orig len =3D 540503040 left =3D 540503040
g_write &= nbsp;'
 I could not get what does it mean,and what is this no. valu= es where should i substitute it ? same error was present in the  Pbs f= ile .
please guide me about this if u know it.thanks
=0A


-= =3D This is automatically added to each message by the mailing script =3D-<= br=
the strange characters on the top line to the : sign. You can also
E-mail to subscribers: CHEMI= STRY : ccl.net or use:
     http://www.ccl.net/cgi-bi= n/ccl/send_ccl_message
=0A
E-mail to administrators: CHEMISTRY-REQUEST : ccl.net= or use
     http://www.ccl.net/cgi= -bin/ccl/send_ccl_message
=0A
Subscribe/Unsubscribe:
  &n= bsp;  http://www.ccl.net/chemistry/sub_unsub.shtml

Before posti= ng, check wait time at: http://www.ccl.net/
=0A
Job: http://www.ccl.n= et/jobs
Conferences: http://server.ccl.net/chemistry/announcements/confe= rences/
=0A
Search Messages: http://www.ccl.net/chemistry/searchccl/i= ndex.shtml

     http://www.ccl.net/spammers.txt
= =0A



--
=0A
Jules.

=0A


--877458626-858859470-1337694866=:73104-- From owner-chemistry@ccl.net Tue May 22 15:47:00 2012 From: "Hamdy Saad El-Sheshtawy hamdyalfy^^yahoo.com" To: CCL Subject: CCL: HOMO and LUMO Visualization Message-Id: <-46955-120522150241-18199-1czBJ5ogQFgt1YxB1h67fQ(0)server.ccl.net> X-Original-From: "Hamdy Saad El-Sheshtawy" Date: Tue, 22 May 2012 15:02:40 -0400 Sent to CCL by: "Hamdy Saad El-Sheshtawy" [hamdyalfy=yahoo.com] Dear all, I want to calculate the HOMO and LUMO orbitals for some dyes. For this reason, I did a TD DFT calculation. Then for visualization with Gassian view, I select MOs from the Edit menu and I can see the HOMO and LUMO, but the problem, when I tried to save the output image, it only save the structure without the HOMO and LUMO visualization. I do not know where is the problem exactly. I am using gview 3.0. Thanks in advance for the help. Hamdy Elsheshtawy Egypt