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Error in dstevx Date: 2005/08/31 05:28 Name: Eyvaz Isaev   <eyvaz_isaev@yahoo.com> Dear users, I have compiled a parallel version of the code on PowerPC970/SuseLinux supercomputer (IBM Blade). But I encountered an error when I started a test calculation with C60.dat using mpirun -np 4 -maxtime 4 ./start_openmx (start_openmx containd a command "openmx C60.dat"). ******************* MD= 1 SCF= 1 ******************* <Set_Hamiltonian> Hamiltonian matrix for VNA+dVH+Vxc... <DC> Eigenvalue problem... ** On entry to DSTEVX, parameter number 14 had an illegal value ** On entry to DSTEVX, parameter number 14 had an illegal value ** On entry to DSTEVX, parameter number 14 had an illegal value ** On entry to DSTEVX, parameter number 14 had an illegal value info=-1 in dstevx_ info=-1 in dstevx_ info=-1 in dstevx_ info=-1 in dstevx_ The same error appeared with the DSC option. Parameter number 14 is LDZ parameter in dstevx. Though I am not an experinced user in C, I tried to find out an origin of the error, but no success. Could you please help me to fix the problem? Best regards, Dr. Eyvaz Isaev, Leading Researcher, Associate Professor Theoretical Physics Department Moscow State Institute of Steel and Alloys

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Re: Error in dstevx ( No.1 ) Date: 2005/09/02 02:34 Name: T.Ozaki Dear Prof. Isaev, This problem seems to be a specific error on the IBM brade, though I am not familiar with this machine. Please make sure that the clapack and lapack downloadable from the website of netlib.org do not work on 64bit machines in general (PowerPC970 is a 64 bit machine). If you are able to use lapack, blas, and g2c supplied by vender on this machine, it would be better to use them rather than you install by your self. By the way, have you succeeded to run OpenMX with other test files on this machine ? Best regards, T.Ozaki Re: Error in dstevx ( No.2 ) Date: 2005/09/02 08:57 Name: Sergey Lisenkov Dear Eyvaz, I successfully run the code on IBM blade cluster (we are using the same machine). I found the successfull execution of the OpenMX code depends on the libraries you are using. It seems than ATLAS library should works well. Best wishes, Sergey

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