Top Page > Browsing

Running jobs in a directory other than "work" Date: 2006/05/19 23:40 Name: Peter Winey   <peterwiney@gmail.com> Dear Dr. Ozaki, I just successfully installed openmx in my cluster. When I run a test job in the "work" directory, I had no problem. However, when I tried to run the same job in other directories, it complains: "Could not find ../DFT_DATA/PAO/..." Obviously it is PATH problem. I am wondering if there is any simple way to avoid this. This is something trivial, but I really would like to figure it out so that other users of my cluster can run jobs in their own directories. Thanks in advance! -Peter Winey

Page: [1]

Re: Running jobs in a directory other than "work" ( No.1 ) Date: 2006/05/22 00:07 Name: T.Ozaki Hi, Please replace three files by http://staff.aist.go.jp/t-ozaki/bugfixed/06May21/SetPara_DFT.c http://staff.aist.go.jp/t-ozaki/bugfixed/06May21/openmx_common.h http://staff.aist.go.jp/t-ozaki/bugfixed/06May21/Input_std.c and recompile OpenMX. Then, you can specify the path by the following keyword in your input file. DATA.PATH ../DFT_DATA/ # default=../DFT_DATA/ Both the absolute and relative specification are available. Regards, TO Re: Running jobs in a directory other than "work" ( No.2 ) Date: 2006/05/22 23:34 Name: Peter Winey  <peterwiney@gmail.com> Dear Dr. Ozaki, Thanks for the fast reply! I followed your instruction and got the three new files. However, when I recompiled the code, I got the following error: ----------------------------------------- truncation.c(1094): warning #556: a value of type "double ****" cannot be assigned to an entity of type "double *****" DM_onsite = (double****)malloc(sizeof(double***)*(SpinP_switch+1)); ^ truncation.c(1097): warning #556: a value of type "double ***" cannot be assigned to an entity of type "double ****" DM_onsite[k] = (double***)malloc(sizeof(double**)*(Matomnum+1)); ^ truncation.c(1123): warning #556: a value of type "double **" cannot be assigned to an entity of type "double ***" DM_onsite[k][Mc_AN] = (double**)malloc(sizeof(double*)*tno0); ^ truncation.c(1126): warning #556: a value of type "double *" cannot be assigned to an entity of type "double **" DM_onsite[k][Mc_AN][i] = (double*)malloc(sizeof(double)*tno1); ^ truncation.c(1127): error: a value of type "double" cannot be assigned to an entity of type "double *" for (j=0; j<tno1; j++) DM_onsite[k][Mc_AN][i][j] = 0.0; ^ truncation.c(1178): warning #556: a value of type "dcomplex *****" cannot be assigned to an entity of type "dcomplex ******" NC_OcpN = (dcomplex*****)malloc(sizeof(dcomplex****)*2); ^ truncation.c(1180): warning #556: a value of type "dcomplex ****" cannot be assigned to an entity of type "dcomplex *****" NC_OcpN[s1] = (dcomplex****)malloc(sizeof(dcomplex***)*2); ^ truncation.c(1182): warning #556: a value of type "dcomplex ***" cannot be assigned to an entity of type "dcomplex ****" NC_OcpN[s1][s2] = (dcomplex***)malloc(sizeof(dcomplex**)*(Matomnum+1)); ^ truncation.c(1195): warning #556: a value of type "dcomplex **" cannot be assigned to an entity of type "dcomplex ***" NC_OcpN[s1][s2][Mc_AN] = (dcomplex**)malloc(sizeof(dcomplex*)*tno0); ^ truncation.c(1198): warning #556: a value of type "dcomplex *" cannot be assigned to an entity of type "dcomplex **" NC_OcpN[s1][s2][Mc_AN][i] = (dcomplex*)malloc(sizeof(dcomplex)*tno0); ^ truncation.c(1199): error: a value of type "dcomplex" cannot be assigned to an entity of type "dcomplex *" for (j=0; j<tno0; j++) NC_OcpN[s1][s2][Mc_AN][i][j] = Complex(0.0,0.0); ^ compilation aborted for truncation.c (code 2) make: *** [truncation.o] Error 2 ----------------------------------------- Any insights? Thanks again. -Peter Re: Running jobs in a directory other than "work" ( No.3 ) Date: 2006/05/24 11:15 Name: T.Ozaki Hi, Sorry, it's my mistake. Please try again by http://staff.aist.go.jp/t-ozaki/bugfixed/06May24/Input_std.c http://staff.aist.go.jp/t-ozaki/bugfixed/06May24/openmx_common.h http://staff.aist.go.jp/t-ozaki/bugfixed/06May24/SetPara_DFT.c Regards, TO

Page: [1]