<div dir="ltr">When i test some large workload (downloaded from qeforge),<div>i found that there is error when executing.</div><div>here is one example:</div><div>(GRIR443)</div><div><br></div><div><div>    k(    6) = (   0.0000000   0.0000000  -0.4337393), wk =   0.1250000</div>
<div>        k(    7) = (   0.0000000  -0.5773503   0.0000000), wk =   0.3750000</div><div>        k(    8) = (   0.0000000  -0.5773503  -0.4337393), wk =   0.3750000</div><div><br></div><div>     Dense  grid:  2233063 G-vectors     FFT dimensions: ( 180, 180, 192)</div>
<div><br></div><div>     Largest allocated arrays     est. size (Mb)     dimensions</div><div>        Kohn-Sham Wavefunctions       955.81 Mb     (  34936, 1793)</div><div>        NL pseudopotentials          3184.63 Mb     (  34936, 5974)</div>
<div>        Each V/rho on FFT grid         23.73 Mb     ( 777600,   2)</div><div>        Each G-vector array             2.13 Mb     ( 279131)</div><div>        G-vector shells                 0.48 Mb     (  62923)</div>
<div>     Largest temporary arrays     est. size (Mb)     dimensions</div><div>        Auxiliary wavefunctions      3823.26 Mb     (  34936, 7172)</div><div>        Each subspace H/S matrix      196.22 Mb     (3586,3586)</div>
<div>        Each <psi_i|beta_j> matrix    163.44 Mb     (   5974, 1793)</div><div>        Arrays for rho mixing          94.92 Mb     ( 777600,   8)</div><div><br></div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
<div>     Error in routine seqopn (16):</div><div>     error opening ./grir443/GRIR.igk</div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div><br></div><div>     stopping ...</div>
<div>APPLICATION TERMINATED WITH THE EXIT STRING: Hangup (signal 1)</div></div><div><br></div><div>it shows that it couldn't open ./grir443/...igk</div><div>but igk file should be created when executing, right?</div><div>
i don't know why it terminate.</div><div>the same is GRIR686 input.</div><div>HELP.</div><div><br></div><div>Thanks all.</div><div><br></div></div>