Dear Barnali, May be this is slightly an off topic but I need some help from you. As you are using the k2 cluster of IUAC, which I am also using. But Iam facing some problems while using SIESTA. While running siesta in the serial mode, the program runs but the output file is not generated. While trying to run the parallel version, the program is not even started even after waiting for 2-3 days. Have you even faced similar kind of problems??
On Thu, Mar 30, 2017 at 1:05 PM, Barnali Bhattacharya < barnalidgbh...@gmail.com> wrote: > Dear SIESTA user > > > I have installed parallel version of siesta 3.2 in k2 cluster and I am > trying to run transiesta job in all.q queue. I have found that, siesta > and transiesta successfully run on the serial.q, but In case of all.q > queue the job started successfully and goes to first MD step ‘New_DM. > Step: 1’, then stop automatically and a new file namely > ‘transiesta.80s-28515,compute-11-14.local’is generated which contain the > following error massage- > > …………………………………. > > > > transiesta:28515 terminated with signal 11 at PC=668de0 SP=7fff67d08118. > Backtrace: > > /mnt/oss/sarkar_au/install/siesta-3.2-pl3/Obj/transiesta( > zdotc_+0x70)[0x668de0] > > /opt/intel/composer_xe_2013_sp1.2.144/mkl/lib/intel64/ > libmkl_scalapack_lp64.so(zvvdotc_+0x16)[0x2b758d717a26] > > /opt/intel/composer_xe_2013_sp1.2.144/mkl/lib/intel64/ > libmkl_scalapack_lp64.so(pzdotc_+0xbe4)[0x2b758d7b3584] > > /opt/intel/composer_xe_2013_sp1.2.144/mkl/lib/intel64/ > libmkl_scalapack_lp64.so(pzlatrd_+0xdce)[0x2b758d5845ce] > > /opt/intel/composer_xe_2013_sp1.2.144/mkl/lib/intel64/ > libmkl_scalapack_lp64.so(pzhetrd_+0x721)[0x2b758d534801] > > /opt/intel/composer_xe_2013_sp1.2.144/mkl/lib/intel64/ > libmkl_scalapack_lp64.so(pzheevd_+0x7e9)[0x2b758d524d79] > > /mnt/oss/sarkar_au/install/siesta-3.2-pl3/Obj/transiesta[0x4d0eb9] > > /mnt/oss/sarkar_au/install/siesta-3.2-pl3/Obj/transiesta[0x43b51e] > > /mnt/oss/sarkar_au/install/siesta-3.2-pl3/Obj/transiesta[0x42a2af] > > /mnt/oss/sarkar_au/install/siesta-3.2-pl3/Obj/transiesta[0x4ec9f3] > > /mnt/oss/sarkar_au/install/siesta-3.2-pl3/Obj/transiesta[0x5085d5] > > /mnt/oss/sarkar_au/install/siesta-3.2-pl3/Obj/transiesta[0x508768] > > /mnt/oss/sarkar_au/install/siesta-3.2-pl3/Obj/transiesta[0x6fb60a] > > /lib64/libc.so.6(__libc_start_main+0xfd)[0x365ba1ecdd] > > /mnt/oss/sarkar_au/install/siesta-3.2-pl3/Obj/transiesta[0x404d79] > > > > ………………………………………………………………………………………………………………………………………………………… > > *Question 1:* > > Could anyone please help me to solve this problem? Any help will be > greatfully acknowledged. > > Here I am attaching the input, output and error file for siesta > installation for detailed information. > > > Thanking you. > > > Sincerely > > > Barnali Bhattachrya > > Ph. D. student, Department of Physics > > Assam University, Silchar > > > > -- *Senior research fellow Dept. of Physics, University of Calcutta Kolkata- 700009, West Bengal, India.* * Ph no-+91-9830512232*
