[Wien] min error

[Torsten Andersen]

Dear Mr. Wang,

I have only seen this error when one of several parallel jobs for some 
reason did not finish correctly (killed, out of memory, nfs errors, 
etc.). It has probably nothing to do with min_lapw. Is there anything in 
lapw1*.error? Or in the dayfile?

Best regards,
Torsten Andersen.

WANG Yuan Xu wrote:
> Dear all£¬
> 
> when i optimized a surface structure by PORT method, after two structure change step, lapw1 error happen and show "Lapw1 crashed". The case.in2, I set FOR.
> The attached file is outputM files.
> How to deal with it? 
> Thank you!	
> 
> Best
> 
> 
> WANG Yuan Xu
> wang.yuanxu at nims.go.jp
> 2004-07-14
> 
> Message: 21
> Subject: RE: [Wien] how to calculate the ion-doped semiconductor
> Date: Fri, 9 Jul 2004 09:44:47 +0200
> From: "Jorissen Kevin" <Kevin.Jorissen at ua.ac.be>
> To: <wien at zeus.theochem.tuwien.ac.at>
> Reply-To: wien at zeus.theochem.tuwien.ac.at
> 
> This is a multi-part message in MIME format.
> 
> ------_=_NextPart_001_01C46588.9B814D81
> Content-Type: text/plain;
> charset="utf-8"
> Content-Transfer-Encoding: base64
> 
> RHVyaW5nIGluaXRpYWxpemF0aW9uLCByZW1vdmUgdGhlIHRocmVlIGVsZWN0cm9ucyBmcm9tIHRo
> ZSBOZCBlbnRyeSBpbiBjYXNlLmluc3QuDQpDaGVjayBjYXNlLmluMiAob24gdGhlIHNlY29uZCBs
> aW5lIGlzIHRoZSBudW1iZXIgb2YgdmFsZW5jZSBlbGVjdHJvbnMgLSBpdCBzaG91bGQgYmUgdGhy
> ZWUgbGVzcyB0aGFuIHRoZSBuZXV0cmFsIHN5c3RlbSkuICBJbnRyb2R1Y2UgYSBiYWNrZ3JvdW5k
> IG9mIC0zLjAgaW4gY2FzZS5pbm0uDQpZb3UgbWF5IGhhdmUgdG8gY2hvb3NlIHNvbWUgcGFyYW1l
> dGVycyBtb3JlIGNhcmVmdWxseSB0aGFuIGluIHRoZSBuZXV0cmFsIGNhc2UgaW4gb3JkZXIgdG8g
> YWNoaWV2ZSBjb252ZXJnZW5jZS4NCkkgdGhpbmsgdGhhdCdzIGFsbC4NCiANCkdvb2QgbHVjaywN
> CiANCktldmluLg0KIA0KDQoJLS0tLS1Pb3JzcHJvbmtlbGlqayBiZXJpY2h0LS0tLS0gDQoJVmFu
> OiBZdXNoYW4gV2FuZyBbbWFpbHRvOnd5c0BVRGVsLkVkdV0gDQoJVmVyem9uZGVuOiBkbyA3Lzgv
> MjAwNCAxMDowNSANCglBYW46IHdpZW5AemV1cy50aGVvY2hlbS50dXdpZW4uYWMuYXQgDQoJQ0M6
> IA0KCU9uZGVyd2VycDogW1dpZW5dIGhvdyB0byBjYWxjdWxhdGUgdGhlIGlvbi1kb3BlZCBzZW1p
> Y29uZHVjdG9yDQoJDQoJDQoNCg0KCURlYXIgdXNlcnMsDQoJd2hvIGhhdmUgc29tZSBleHBlcmll
> bmNlIHRvIGNhbGN1bGF0ZSwgZm9yIGluc3RhbmNlIHRoZSBOZCgrMykgZG9wZW4gWm5PLg0KCXdl
> IHJlYWxseSBoYXZlIGNhbGN1bGF0ZWQgdGhlIE5kIGRvcGVkIFpuTy4gSSBoYXZlIG5vIGlkZWEg
> b2YgaG93IHRvDQoJY2hhbmdlIHRoZSByZWxhdGVkIGlucHV0IGZpbGVzIGZvciB0aGUgaW9uIGlu
> dm9sdmVkIGNhbGN1bGF0aW9uLg0KCXlvdXIgaGVscCB3b3VsZCBiZSBoaWdobHkgYXBwcmVjaWFl
> ZC4NCgkNCgl5dXNoYW4NCgkNCglfX19fX19fX19fX19fX19fX19fX19fX19fX19fX19fX19fX19f
> X19fX19fX19fXw0KCVdpZW4gbWFpbGluZyBsaXN0DQoJV2llbkB6ZXVzLnRoZW9jaGVtLnR1d2ll
> bi5hYy5hdA0KCWh0dHA6Ly96ZXVzLnRoZW9jaGVtLnR1d2llbi5hYy5hdC9tYWlsbWFuL2xpc3Rp
> bmZvL3dpZW4NCgkNCgkNCg0K
> 
> ------_=_NextPart_001_01C46588.9B814D81
> Content-Type: application/ms-tnef;
> name="winmail.dat"
> Content-Transfer-Encoding: base64
> 
> eJ8+IhEHAQaQCAAEAAAAAAABAAEAAQeQBgAIAAAA5AQAAAAAAADoAAENgAQAAgAAAAIAAgABBYAD
> AA4AAADUBwcACQAJACwALwAFAFQBASCAAwAOAAAA1AcHAAkACQAvAA4ABQA2AQEJgAEAIQAAADMz
> REExMkFFMTc4NUUyNEM5NjQyRDc2MkIyOUJCNTUxABsHAQOQBgDoEAAAOAAAAB8AGgABAAAAEgAA
> AEkAUABNAC4ATgBvAHQAZQAAAAAAAwA2AAAAAAAfADcAAQAAAHAAAABSAEUAOgAgAFsAVwBpAGUA
> bgBdACAAaABvAHcAIAB0AG8AIABjAGEAbABjAHUAbABhAHQAZQAgAHQAaABlACAAaQBvAG4ALQBk
> AG8AcABlAGQAIABzAGUAbQBpAGMAbwBuAGQAdQBjAHQAbwByAAAAQAA5AIFNgZuIZcQBHwA9AAEA
> AAAKAAAAUgBFADoAIAAAAAAAAgFHAAEAAAAsAAAAYz11czthPSA7cD1YTUFJTDtsPVhNQUlMLTA0
> MDcwOTA3NDQ0N1otNDIzOAAfAEkAAQAAAGgAAABbAFcAaQBlAG4AXQAgAGgAbwB3ACAAdABvACAA
> YwBhAGwAYwB1AGwAYQB0AGUAIAB0AGgAZQAgAGkAbwBuAC0AZABvAHAAZQBkACAAcwBlAG0AaQBj
> AG8AbgBkAHUAYwB0AG8AcgAAAEAATgAAa17aJmXEAR8AWgABAAAAGAAAAFkAdQBzAGgAYQBuACAA
> VwBhAG4AZwAAAAIBWwABAAAANgAAAAAAAACBKx+kvqMQGZ1uAN0BD1QCAAAAAFl1c2hhbiBXYW5n
> AFNNVFAAd3lzQFVEZWwuRWR1AAAAAgFcAAEAAAASAAAAU01UUDpXWVNAVURFTC5FRFUAAAAfAF0A
> AQAAABgAAABZAHUAcwBoAGEAbgAgAFcAYQBuAGcAAAACAV4AAQAAADYAAAAAAAAAgSsfpL6jEBmd
> bgDdAQ9UAgAAAABZdXNoYW4gV2FuZwBTTVRQAHd5c0BVRGVsLkVkdQAAAAIBXwABAAAAEgAAAFNN
> VFA6V1lTQFVERUwuRURVAAAAHwBmAAEAAAAKAAAAUwBNAFQAUAAAAAAAHwBnAAEAAAAaAAAAdwB5
> AHMAQABVAEQAZQBsAC4ARQBkAHUAAAAAAB8AaAABAAAACgAAAFMATQBUAFAAAAAAAB8AaQABAAAA
> GgAAAHcAeQBzAEAAVQBEAGUAbAAuAEUAZAB1AAAAAAAfAHAAAQAAAGgAAABbAFcAaQBlAG4AXQAg
> AGgAbwB3ACAAdABvACAAYwBhAGwAYwB1AGwAYQB0AGUAIAB0AGgAZQAgAGkAbwBuAC0AZABvAHAA
> ZQBkACAAcwBlAG0AaQBjAG8AbgBkAHUAYwB0AG8AcgAAAAIBcQABAAAAGwAAAAHEZSiClOvjdueh
> 2kggn6YPe9q9BF4AF+9a6gAfAHQAAQAAAEAAAAB3AGkAZQBuAEAAegBlAHUAcwAuAHQAaABlAG8A
> YwBoAGUAbQAuAHQAdQB3AGkAZQBuAC4AYQBjAC4AYQB0AAAAHwAaDAEAAAAeAAAASgBvAHIAaQBz
> AHMAZQBuACAASwBlAHYAaQBuAAAAAAAfAB0OAQAAAGgAAABbAFcAaQBlAG4AXQAgAGgAbwB3ACAA
> dABvACAAYwBhAGwAYwB1AGwAYQB0AGUAIAB0AGgAZQAgAGkAbwBuAC0AZABvAHAAZQBkACAAcwBl
> AG0AaQBjAG8AbgBkAHUAYwB0AG8AcgAAAAIBCRABAAAA8wcAAO8HAAAhGgAATFpGdZkH7UwDAAoA
> cmNwZzEyNYIyA0NodG1sMQMwPwEDAfcKgAKkA+MCAGNowQrAc2V0MCAHEwKA/xADAFAEVghVB7IR
> 1Q5RAwHdENcyBgAGwxHVMwRGENlvEusR4wjvCfc7GM8OMDU7EdIMYGMAUAsJAWQzNpMRYAulNCAQ
> AipcDrK9AZBnFPAKoxHjHeg0FPAAPCFET0NUWVAARSBIVE1MIFAAVUJMSUMgIi0gLy9XM0MhgERU
> IkQglDMuMiGARU6cIj4e7R6PI8ExOB/wbyCiIw8kHyaQMx2AJXBFfEFEJc0O8SbvKW8k9DZBDvA8
> TUVUQQewQTEsYD0iRwnwBJBhdEUFsCIS0E9OVCLQVBMs8AXhRXgQ8W5nZT0GUnYTMS9BAJACICA2
> AC4wLjU3NjIuTjMi/irPJQM3Nx/wVFBJVExFJc40DvBbglcIkG5dIGhvB+BJLXAgYwdAY3ULYHQZ
> LvB0aC7wL8EtZG9qcAmAIBEwbQ3gAiBk1xuALXEkbjUf8C8zTzF/vyZFNJE5EChPJp885DURYAA8
> Qk9EWSBkafRyPT0AcjxQPMMAIQMwnz9hNsAA4D9hCrFccRiw/z9hEPADMD/FEWA8exzxPX+IZzk2
> H/BESVY/mWcAAEHXPJk2NEUPQiJELwhxLtA2cAMAdAcxaXrzLWAvwSwgGNAEYC9ANjPjNkAJ0SBl
> bAWQP3ACIHcEIANSNjNONwAJ8D9web9I0R2cHYBDVDWgETAuC4D4c3QuPJkBwD+nCqI/p/sKcSR8
> MCgRIeBE21B4Ql9fQ29Ef0WPRp9XG0M2UGPuazWRTlMU8Cgv0TZCETB9N2IgSUAtMDZwBCA2Qm7W
> dQbQEzFvQCB2B0AJ8L5jLvBM71UCSvc8ezgdgGAmbmJzcAKAP7gntmEBQFNnLTZwBUBzNTD/NeA3
> AFzQSoVLAAQRNkADkblcY2V1P3AHQDcQeU6g+TcwKS5fr2C/Ycpdv1Tz3klMYQRwG4Au8GFjMADQ
> 3msJwAhgW7FdES0igBFg+0yxTjVtTs9P31DvUf9TD79UH1UvVj9XT1hfcShZCGB+IADATJARAEoi
> NYE1MG/fETA3EANwLvAKsWEHgDYQvxEgeAAFsC7wNaAY0GY14P5sTJBkI0yxZHpor032TKLvBbAE
> gTViANBoCJBKITdh/y9BLuBdgWyfba9uv2/PcN+/ce9y/3QPdR92L4SYSTYxZwuAWkBkIXQnBCAH
> QGz/gA+BH4Ivgz+ET4Vfhm+Hf/+Ij4mfkP9mL2c/lT6NL44//49PkF+Rb5J/k4+Un5Wvoq3OR3jw
> W8EbgGssmo+bn/+cr52/ns+f36Dvof+jD6Qf/6rvmC+ZP5pPpy+oP6lPql+/q2+sf62Prp+vr7yr
> S38Q/wuAjG+1b7Z/t4+4n7mvur//u8+8373vxH+x/7MPtB/Av//Bz8Lfw+/E/8YPxxQhECAwcEtR
> VU8t8D8WNxB0BnlLAC4xQVJHSU4QLVJJRyCgOiAw/HB4IvE/uAqxEAJAxUFj/0EhQb/Tjx8baHHU
> X8dfzW+3yX/aeEBAaRzSJHw0JVHeRi3RNxBJUNbwMt7rC+J12mkt5mJPBbDMUEtBa/lK8GlqWkBc
> 0Q3gDrDmY/fizSwQPrFSP5tb8QqB2o9Xy6Y+wN7rYtppVgBwOrvdrB/hL+yK0nl3wHVi0H0DkVcu
> wXxv3B/L4t1xWycAwAMQLXA6d2VAQFXyRErwLkU3kDUQ6H/pj9/qn+uv7L/txQSQejdxCfAP7l/v
> b2gXNsAgNy84zi8B0NFB0TA6MDjw9a/f9r/3z/jf+e8CVEHuP/zf32f/8i/zPxCQGVBA5GDxEJ4u
> NkFAkDZQbIB0dQrC/i5+0AxQYrD/vwDPAd8C7/sD/1mlQwWfBq8Hvw1PDl+XD28Qf+09T/uhcnd6
> AP5wEp8TrxS3NMUITwlf8+T/NT82TzdYFU8WXxdvJB8lL+smPzhmNd6BL+PyHM/Nv//Oz8/f0O8r
> jybPHHEoDNkDvzE/24/cnzTL4PAcgFAzH//hyeE/4k/jX+Rv5X31EDXRu/EQegEsJu8n/ykMdyEg
> 83hEeUNleCLQSJBdcyFq/UnAZn5AHp81z/PVToJ7UMNEckvzKCszKf6BItDxa/Babk9lrEDvQf9D
> AP9qcGOQjDF4NSGXW8BI1Elzf1vASeJFv0bP89WLQHhTbv0hcGn7sGqQXREhJEovSz9/KQwLoPGB
> IhRjkE5kKPBw/2TQRXD0cGPgRXMiNU/fUO/xR9d2b2x/gKXgIZYicXdKH1TvKP15YvDWkCJAbM5w
> TRBi9n7wZ2h7AVmfE1qv8+RhcObwZWNp/mFPYF1fXm8o/2VfZm9fq3/xE2g/aU9nX2vPbN9t6V//
> cZ9yr3N6bp9vr228HkJh//9jD/PV9FJtoPGgO3BIYHSP/3Wfdq8K/wwJex98L22/GHzWQXi0CCBo
> V5Bm1wDMoLJ0G3AvL35vDCcv9FK59FBuL3rSghBFgC8Kwt/YOj5RDCBhMDYyZmEwSEKAe0hZUEVS
> TNdgPEsghP+GD4cfiCR9fQ8+UWEw5tA2oFxjZjH+XCHQ2mmLH4wvjT8KwjCf9zn6MS8b+kGBQIAP
> gR+CL/+X35jvmf8qTzB/OdsuHjif/50vLSQcgThhLx8ckdWXnx9voz81j6iPNlc1PMEcoE+8RFmX
> jRxwqk82wTccgSnXwE1Mm+B9rwAAHwA1EAEAAAB+AAAAPAA0AEQAQgBEADEANwA0ADgAQQBCAEMA
> RQAzAEYANABBADgANABBAEQAQQBFAEYANgAwADMANQBCAEMAMwBEADgAMAAxADgAOQAzADkAOQBF
> AEAAeABtAGEAaQBsAC4AcgB1AGMAYQAuAHUAYQAuAGEAYwAuAGIAZQA+AAAAAAAfAEcQAQAAAB4A
> AABtAGUAcwBzAGEAZwBlAC8AcgBmAGMAOAAyADIAAAAAAAsA8hABABIIHwDzEAEAAAB8AAAAUgBF
> ACUAMwBBACAAWwBXAGkAZQBuAF0AIABoAG8AdwAgAHQAbwAgAGMAYQBsAGMAdQBsAGEAdABlACAA
> dABoAGUAIABpAG8AbgAtAGQAbwBwAGUAZAAgAHMAZQBtAGkAYwBvAG4AZAB1AGMAdABvAHIALgBF
> AE0ATAAAAAsA9hAAAAAAQAAHMMns+D+IZcQBQAAIMInCFvOIZcQBAwDeP+n9AAADAPE/EwgAAB8A
> +D8BAAAAHgAAAEoAbwByAGkAcwBzAGUAbgAgAEsAZQB2AGkAbgAAAAAAAgH5PwEAAABdAAAAAAAA
> ANynQMjAQhAatLkIACsv4YIBAAAAAAAAAC9PPVhNQUlML09VPUZJUlNUIEFETUlOSVNUUkFUSVZF
> IEdST1VQL0NOPVJFQ0lQSUVOVFMvQ049Sk9SSVNTRU4AAAAAHwD6PwEAAAAqAAAAUwB5AHMAdABl
> AG0AIABBAGQAbQBpAG4AaQBzAHQAcgBhAHQAbwByAAAAAAACAfs/AQAAAB4AAAAAAAAA3KdAyMBC
> EBq0uQgAKy/hggEAAAAAAAAALgAAAAMA/T/kBAAAAwAZQAAAAAADABpAAAAAAAMAHUAAAAAAAwAe
> QAAAAAAfADBAAQAAABIAAABKAE8AUgBJAFMAUwBFAE4AAAAAAB8AMUABAAAAEgAAAEoATwBSAEkA
> UwBTAEUATgAAAAAAHwAyQAEAAAAaAAAAdwB5AHMAQABVAEQAZQBsAC4ARQBkAHUAAAAAAB8AM0AB
> AAAAGgAAAHcAeQBzAEAAVQBEAGUAbAAuAEUAZAB1AAAAAAAfADhAAQAAABIAAABKAE8AUgBJAFMA
> UwBFAE4AAAAAAB8AOUABAAAABAAAAC4AAAALACkAAAAAAAsAIwAAAAAAAwAGEHjHMTIDAAcQIwMA
> AAMAEBAAAAAAAwAREAAAAAAeAAgQAQAAAGUAAABEVVJJTkdJTklUSUFMSVpBVElPTixSRU1PVkVU
> SEVUSFJFRUVMRUNUUk9OU0ZST01USEVOREVOVFJZSU5DQVNFSU5TVENIRUNLQ0FTRUlOMihPTlRI
> RVNFQ09ORExJTkVJU1RIAAAAAAIBfwABAAAAPwAAADw0REJEMTc0OEFCQ0UzRjRBODRBREFFRjYw
> MzVCQzNEODAxODkzOTlFQHhtYWlsLnJ1Y2EudWEuYWMuYmU+AAC10g==
> 
> ------_=_NextPart_001_01C46588.9B814D81--
> 
> 

-- 
Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/