Hello SIESTA USERS I'm a new user and I worried about I can't proceed the following COOP task. I run the mprop programm by using the job examples of h2o_coop in /Tests/h2o_coop and /Util/COOP/Tests/h2o. But runtime errors occur by two different executables made by g95 and ifort compiler. Please let me know how to solve this problem. Or the other way to get COOP and COHP curves.
(g95) # mprop h2o_coo Using smearing parameter: 0.500 Using 200 points in energy range h2o_coop.WFSX ... At line 103 of file mprop.f90 (Unit 72 "h2o_coop.WFSX") Traceback: not available, compile with -ftrace=frame or -ftrace=full Fortran runtime error: Reading more data than the record size (RECL) (ifort) [root@localhost work]# mprop h2o_coo Using smearing parameter: 0.500 Using 200 points in energy range h2o_coop.WFSX ... forrtl: severe (67): input statement requires too much data, unit 72, file /usr/local/src/siesta-3.0-rc2/Tests/h2o_coop/work/h2o_coop.WFSX Image PC Routine Line Source mprop 080CBDF3 Unknown Unknown Unknown mprop 080CAB10 Unknown Unknown Unknown mprop 0809541E Unknown Unknown Unknown mprop 0806389C Unknown Unknown Unknown mprop 0806319A Unknown Unknown Unknown mprop 0807BCD3 Unknown Unknown Unknown mprop 0807A1C1 Unknown Unknown Unknown mprop 0805680D Unknown Unknown Unknown mprop 08049DC4 Unknown Unknown Unknown libc.so.6 00163E9C Unknown Unknown Unknown mprop 08049CB1 Unknown Unknown Unknown --- 2011/6/12 Yasuharu YOKOI University of Tsukuba, Japan Re: [SIESTA-L] Re: COOP Utility Gregorio García Moreno Mon, 04 Oct 2010 08:14:04 -0700 A lot of thaks for your replies. Now, I have the file.mpr I write: ./mprop -s 0.01 -n 500 -m -15 -M 15 file.mpr But the response is: Image PC Routine Line Source mprop 00000000004B9D9D Unknown Unknown Unknown mprop 00000000004B88A5 Unknown Unknown Unknown mprop 0000000000467D49 Unknown Unknown Unknown mprop 000000000042487D Unknown Unknown Unknown mprop 00000000004240CA Unknown Unknown Unknown mprop 000000000043395D Unknown Unknown Unknown mprop 0000000000416F2A Unknown Unknown Unknown mprop 000000000040C0DC Unknown Unknown Unknown libc.so.6 00002AFE61F67586 Unknown Unknown Unknown mprop 000000000040BFD9 Unknown Unknown Unknown And I don't obtain any ouput file. It is a compilation problem?
