<html><head><style>p{margin-top:0px;margin-bottom:0px;}</style></head><body><div style="font-size:10pt; font-family:Gulim, sans-serif;"><p>Hyungu Han , Konkuk uni, South Korea</p><p> </p><p>Hello, I am a graduate school student in South Korea.</p><p>I use Quantum-espresso through Cygwin64 Terminal. so I made input file of scf,hp and script file. I attached here to share my errors with you. I don`t know why my files make some errors. </p><p> </p><p>I exactly did scf calculations in quantum-espresso HP example08[NiO2.scf.in] and the results is OK. But ,as I mentioned it before, hp.x is not successful. how do I deal with?</p><p> </p><p> </p><p>hp input file </p><p>======================</p><p><span style="font-size: 13.3333px;"> &inputhp</span></p><p><span style="font-size: 13.3333px;"> prefix = 'NiO2',</span></p><p><span style="font-size: 13.3333px;"> outdir = './outdir',</span></p><p><span style="font-size: 13.3333px;"> nq1 = 2, nq2 = 2, nq3 = 1,</span></p><p><span style="font-size: 13.3333px;"> conv_thr_chi = 1.0d-8,</span></p><p><span style="font-size: 13.3333px;"> iverbosity = 2</span></p><p><span style="font-size: 13.3333px;"> /</span></p><div>=======================</div><div><br></div><div>My script fie</div><div><br></div><div><div><span style="font-size: 13.3333px;">#!/bin/bash</span></div><div><span style="font-size: 13.3333px;"><br></span></div><div><span style="font-size: 13.3333px;">#PBS -l nodes=1:ppn=8</span></div><div><span style="font-size: 13.3333px;">#PBS -N NiO2.hp</span></div><div><span style="font-size: 13.3333px;">#PBS -q workq</span></div><div><span style="font-size: 13.3333px;"><br></span></div><div><span style="font-size: 13.3333px;">#PBS -r n</span></div><div><span style="font-size: 13.3333px;">#PBS -j oe</span></div><div><span style="font-size: 13.3333px;"><br></span></div><div><span style="font-size: 13.3333px;">cd $PBS_O_WORKDIR</span></div><div><span style="font-size: 13.3333px;"><br></span></div><div><span style="font-size: 13.3333px;">MPI_EXEC="/opt/mpi/intel-14.0/openmpi-4.0.3/bin/mpirun"</span></div><div><span style="font-size: 13.3333px;">NPROC=`wc -l < $PBS_NODEFILE`</span></div><div><span style="font-size: 13.3333px;"><br></span></div><div><span style="font-size: 13.3333px;">$MPI_EXEC -machinefile $PBS_NODEFILE -n $NPROC hp.x < NiO2.hp.in > NiO2.hp.out</span></div></div><div><br></div><div><br></div><div>====================================================================</div><div><br></div><div>hp output file [errors]</div><div><br></div><div><span style="font-size: 13.3333px;">8 total processes failed to start</span><br></div><div><span style="font-size: 13.3333px;"><br></span></div><div><span style="font-size: 13.3333px;">===================================================================</span></div></div></body></html><table style='display:none'><tr><td><img src="https://mail.naver.com/readReceipt/notify/?img=iXe5%2B6G5M6dwhAnZW4JcMqE%2FFAICp4M%2FFqi4M4FvFAtwMob%2FpxEXMo2dpxulMEIo%2BrkSKAud74lR74l4b4u516YQaXkqpBiqtzwGbX3q7NJ9M6ld%2B6dRpBFmb4kqbrY5WXiN.gif" border="0"/></td></tr></table>