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what is the meaning of the error warning ? Date: 2006/08/27 09:01 Name: Liger Cheb   <b89202066@ntu.edu.tw> HI : In a system of 80 atoms for optimizing geometric structure , using parrellel openmx ( gcc) , I got this error massage : atom= 80, XYZ(ang) Fxyz(a.u.)= 5.0583 5.6282 1.9189 0.0010 -0.0032 0.0002 p0_9537: p4_error: net_recv read: probable EOF on socket: 1 p2_7542: p4_error: interrupt SIGSEGV: 11 p1_19341: p4_error: interrupt SIGSEGV: 11 p4_7339: p4_error: net_recv read: probable EOF on socket: 1 p5_7322: p4_error: net_recv read: probable EOF on socket: 1 p6_7425: p4_error: net_recv read: probable EOF on socket: 1 p7_19073: p4_error: net_recv read: probable EOF on socket: 1 p3_7400: p4_error: net_recv read: probable EOF on socket: 1 please tell me what that means , thank you .... :-)

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Re: openmx runtime questions ( No.1 ) Date: 2006/09/19 10:59 Name: T.Ozaki Hi, Though I am not sure the precise origin for your problem, one possible origin is a memory issue. I am wondering that your machine does not have enough memory for this system. Regards, TO Re: what is the meaning of the error warning ? ( No.2 ) Date: 2006/09/20 14:50 Name: Liger Chen  <b89202066@ntu.edu.tw> Hi Fellowing the user' guide , I set the MD.type be " DIIS" . when I set the MD.type be "Opt" , the warning was disappear . So , could you tell me , how I could do to set "DIIS" without unknown shut down ? thank you lots Re: what is the meaning of the error warning ? ( No.3 ) Date: 2006/09/20 14:56 Name: Liger Chen  <b89202066@ntu.edu.tw> Oh ... the problem was solved , title be "Bugs in MD_pac.c of OpenMX Ver. 3.0" .

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