<DIV> I think the <SPAN style="FONT-FAMILY: 'Calibri','sans-serif'; FONT-SIZE: 11pt; mso-ascii-theme-font: minor-latin; mso-fareast-font-family: SimSun; mso-fareast-theme-font: minor-fareast; mso-hansi-theme-font: minor-latin; mso-bidi-font-family: 'Times New Roman'; mso-bidi-theme-font: minor-bidi; mso-ansi-language: EN-AU; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA">batch system will be more efficient. The <SPAN style="FONT-FAMILY: 'Calibri','sans-serif'; FONT-SIZE: 11pt; mso-fareast-font-family: 'Times New Roman'; mso-bidi-font-family: 'Times New Roman'; mso-ansi-language: EN-AU; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA">interactive mode is not good, because we have to wait for the job.</SPAN></SPAN></DIV>
<DIV><SPAN style="FONT-FAMILY: 'Calibri','sans-serif'; FONT-SIZE: 11pt; mso-ascii-theme-font: minor-latin; mso-fareast-font-family: SimSun; mso-fareast-theme-font: minor-fareast; mso-hansi-theme-font: minor-latin; mso-bidi-font-family: 'Times New Roman'; mso-bidi-theme-font: minor-bidi; mso-ansi-language: EN-AU; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA"><SPAN style="FONT-FAMILY: 'Calibri','sans-serif'; FONT-SIZE: 11pt; mso-fareast-font-family: 'Times New Roman'; mso-bidi-font-family: 'Times New Roman'; mso-ansi-language: EN-AU; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA"></SPAN></SPAN> </DIV>
<DIV><SPAN style="FONT-FAMILY: 'Calibri','sans-serif'; FONT-SIZE: 11pt; mso-ascii-theme-font: minor-latin; mso-fareast-font-family: SimSun; mso-fareast-theme-font: minor-fareast; mso-hansi-theme-font: minor-latin; mso-bidi-font-family: 'Times New Roman'; mso-bidi-theme-font: minor-bidi; mso-ansi-language: EN-AU; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA"><SPAN style="FONT-FAMILY: 'Calibri','sans-serif'; FONT-SIZE: 11pt; mso-fareast-font-family: 'Times New Roman'; mso-bidi-font-family: 'Times New Roman'; mso-ansi-language: EN-AU; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA">So is there any program or do we have to write some small program to creat a batch jobs?</SPAN></SPAN></DIV>
<DIV><SPAN style="FONT-FAMILY: 'Calibri','sans-serif'; FONT-SIZE: 11pt; mso-ascii-theme-font: minor-latin; mso-fareast-font-family: SimSun; mso-fareast-theme-font: minor-fareast; mso-hansi-theme-font: minor-latin; mso-bidi-font-family: 'Times New Roman'; mso-bidi-theme-font: minor-bidi; mso-ansi-language: EN-AU; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA"><SPAN style="FONT-FAMILY: 'Calibri','sans-serif'; FONT-SIZE: 11pt; mso-fareast-font-family: 'Times New Roman'; mso-bidi-font-family: 'Times New Roman'; mso-ansi-language: EN-AU; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA"></SPAN></SPAN> </DIV>
<DIV><SPAN style="FONT-FAMILY: 'Calibri','sans-serif'; FONT-SIZE: 11pt; mso-ascii-theme-font: minor-latin; mso-fareast-font-family: SimSun; mso-fareast-theme-font: minor-fareast; mso-hansi-theme-font: minor-latin; mso-bidi-font-family: 'Times New Roman'; mso-bidi-theme-font: minor-bidi; mso-ansi-language: EN-AU; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA"><SPAN style="FONT-FAMILY: 'Calibri','sans-serif'; FONT-SIZE: 11pt; mso-fareast-font-family: 'Times New Roman'; mso-bidi-font-family: 'Times New Roman'; mso-ansi-language: EN-AU; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA">Thanks</SPAN></SPAN> </DIV>-------- Forwarding messages --------<BR>From: gromacs <ptf1242@163.com><BR>Date: 2010-12-15 09:42:04<BR>To: gmx-users@gromacs.org<BR>Subject: HPC mpi how to run<BR>
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<DIV dir="ltr"><FONT color="#000000" size="2" face="Tahoma">Hi ,</FONT></DIV>
<DIV dir="ltr"><FONT size="2" face="tahoma"></FONT> </DIV>
<DIV dir="ltr"><FONT size="2" face="tahoma">I have installed PSFTP and PuTTY. I have seen the Gromacs-4.0.7 in ./opt in wivenhoe (cluster), and i know how to upload my file to my folder using PSFTP. However i donot know how to run it in HPC; when i using Gromacs-4.0.7 in my desktop, if the Gromacs is installed properly, there will be a line when i type the command 'luck'.</FONT></DIV>
<DIV dir="ltr"><FONT size="2" face="tahoma"></FONT> </DIV>
<DIV dir="ltr"><FONT size="2" face="tahoma">How can i see the gromacs whether it istalled properly?</FONT></DIV>
<DIV dir="ltr"><FONT size="2" face="tahoma"></FONT>how can i run simulations on HPC? </DIV>
<DIV dir="ltr"><FONT size="2" face="tahoma">Thanks!</FONT></DIV></DIV></DIV>
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