<meta http-equiv="Content-Type" content="text/html; charset=GB18030"><div>Dear QE users,</div><div><br></div><div>I am trying to run turbo_davidson.x for my charged system (tot_charge = -4) with parallel calculation (16 cores). The input for turbo_davidson.x presented as below:</div><div><br></div><div><span style="display: inline !important; float: none; background-color: rgb(255, 255, 255); color: rgb(0, 0, 0); font-family: Verdana; font-size: 14px; font-style: normal; font-variant: normal; font-weight: 400; letter-spacing: normal; line-height: 1.5; orphans: 2; text-align: left; text-decoration: none; text-indent: 0px; text-transform: none; -webkit-text-stroke-width: 0px; white-space: normal; word-spacing: 0px;">---------------------------------------------</span><b></b></div><div>&lr_input<br>    prefix='Mo_O',<br>    outdir='../../../tmp_Mo8O26_davidson'<br>    restart= .false.<br> /<br>&lr_dav<br> if_dft_spectrum= .false.<br> num_eign = 120,<br>   num_init = 240,<br>   num_basis_max = 80,<br>   residue_conv_thr = 1.0D-4,<br>   start  = 0.0,<br>   finish = 6,<br>   step   = 2.0D-4,<br>   broadening = 0.005,<br>   reference = 0.5,<br>   p_nbnd_occ  = 16,<br>   p_nbnd_virt = 24,<br>   poor_of_ram  = .false.<br>   poor_of_ram2 = .false.<br> /</div><div>---------------------------------------------</div><div><br></div><div>But the program stops and gets error as:</div><div><br></div><div><span style="display: inline !important; float: none; background-color: rgb(255, 255, 255); color: rgb(0, 0, 0); font-family: Verdana; font-size: 14px; font-style: normal; font-variant: normal; font-weight: 400; letter-spacing: normal; line-height: 1.5; orphans: 2; text-align: left; text-decoration: none; text-indent: 0px; text-transform: none; -webkit-text-stroke-width: 0px; white-space: normal; word-spacing: 0px;">---------------------------------------------</span><b></b><i></i><u></u><strike></strike><br></div><div>forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>Image              PC                Routine            Line        Source             <br>turbo_davidson.x   0000000000CE9C21  Unknown               Unknown  Unknown<br>turbo_davidson.x   0000000000CE7D5B  Unknown               Unknown  Unknown<br>turbo_davidson.x   0000000000C7F244  Unknown               Unknown  Unknown<br>turbo_davidson.x   0000000000C7F056  Unknown               Unknown  Unknown<br>turbo_davidson.x   0000000000C01EA9  Unknown               Unknown  Unknown<br>turbo_davidson.x   0000000000C06AB6  Unknown               Unknown  Unknown<br>libpthread-2.17.s  00002AE9446AE5E0  Unknown               Unknown  Unknown<br>turbo_davidson.x   0000000000CF50F0  Unknown               Unknown  Unknown<br>turbo_davidson.x   0000000000443D45  lr_dav_routines_m         475  lr_dav_routines.f90<br>turbo_davidson.x   000000000040D232  MAIN__                     99  lr_dav_main.f90<br>turbo_davidson.x   000000000040CE1E  Unknown               Unknown  Unknown<br>libc-2.17.so       00002AE9448DCC05  __libc_start_main     Unknown  Unknown<br>turbo_davidson.x   000000000040CD29  Unknown               Unknown  Unknown</div><div><br></div><div><span style="display: inline !important; float: none; background-color: rgb(255, 255, 255); color: rgb(0, 0, 0); font-family: Verdana; font-size: 14px; font-style: normal; font-variant: normal; font-weight: 400; letter-spacing: normal; line-height: 1.5; orphans: 2; text-align: left; text-decoration: none; text-indent: 0px; text-transform: none; -webkit-text-stroke-width: 0px; white-space: normal; word-spacing: 0px;">---------------------------------------------</span></div><div><span style="display: inline !important; float: none; background-color: rgb(255, 255, 255); color: rgb(0, 0, 0); font-family: Verdana; font-size: 14px; font-style: normal; font-variant: normal; font-weight: 400; letter-spacing: normal; line-height: 1.5; orphans: 2; text-align: left; text-decoration: none; text-indent: 0px; text-transform: none; -webkit-text-stroke-width: 0px; white-space: normal; word-spacing: 0px;"></span><b></b><i></i><u></u><strike></strike><br></div><div>It will be very appreciated if you can solve my problem. Thanks.</div><div><br></div><div>Best wishes</div><div>Weijie Zhou</div><div><br></div><div><br></div><div><span style="display: inline !important; float: none; background-color: rgb(255, 255, 255); color: rgb(0, 0, 0); font-family: Verdana; font-size: 14px; font-style: normal; font-variant: normal; font-weight: 400; letter-spacing: normal; line-height: 1.5; orphans: 2; text-align: left; text-decoration: none; text-indent: 0px; text-transform: none; -webkit-text-stroke-width: 0px; white-space: normal; word-spacing: 0px;">---------------------------------------------</span></div><div>PhD student<br></div><div>University  of Leeds</div><div>UK</div><div><b></b><i></i><u></u><strike></strike><b></b><i></i><u></u><strike></strike><br></div>