<html><head><meta http-equiv="Content-Type" content="text/html charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">Dear Q-E developers,<div class=""><br class=""></div><div class="">I was using Quantum-Espresso installed on the new MareNostrum IV from the Barcelona Supercomputing Centre. I have noticed there is a problem in concatenating Q-E calculations, i.e., in starting or re-starting a calculation from an existing well-exited Q-E calculations. For example, in a band calculation, after successfully completed a scf calculation, I get an error about reading the rho from the xml file. I believe the problem lies in the QE (6.1) and HDF5 (1.10) used on that machine. Indeed, I have compiled the Q-E suite without HDF support and it works nicely (and this ruled out any problem linked to the input files). </div><div class=""><br class=""></div><div class="">For completeness I attach the make file used on MareNostrum and a list of the libraries pw.x is linked against</div><div class=""><br class=""></div><div class="">I hope this is useful.</div><div class=""><br class=""></div><div class="">Best regards,</div><div class="">Roberto</div><div class=""><br class=""></div><div class=""><div class=""> linux-vdso.so.1 (0x00007ffd62def000)</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>libmkl_intel_lp64.so => /apps/INTEL/2017.4/mkl/lib/intel64/libmkl_intel_lp64.so (0x00002ae4e3f7b000)</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>libmkl_sequential.so => /apps/INTEL/2017.4/mkl/lib/intel64/libmkl_sequential.so (0x00002ae4e49b2000)</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>libmkl_core.so => /apps/INTEL/2017.4/mkl/lib/intel64/libmkl_core.so (0x00002ae4e574f000)</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>libhdf5_fortran.so.100 => /apps/HDF5/1.10.1/INTEL/IMPI/lib/libhdf5_fortran.so.100 (0x00002ae4e7282000)</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>libhdf5.so.101 => /apps/HDF5/1.10.1/INTEL/IMPI/lib/libhdf5.so.101 (0x00002ae4e74d7000)</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>libmpifort.so.12 => /apps/INTEL/2017.4/impi/2017.3.196/lib64/libmpifort.so.12 (0x00002ae4e7b93000)</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>libmpi.so.12 => /apps/INTEL/2017.4/impi/2017.3.196/lib64/libmpi.so.12 (0x00002ae4e7f3d000)</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>libdl.so.2 => /lib64/libdl.so.2 (0x00002ae4e8c7c000)</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>librt.so.1 => /lib64/librt.so.1 (0x00002ae4e8e80000)</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>libpthread.so.0 => /lib64/libpthread.so.0 (0x00002ae4e9089000)</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>libm.so.6 => /lib64/libm.so.6 (0x00002ae4e92a6000)</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>libc.so.6 => /lib64/libc.so.6 (0x00002ae4e95a3000)</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>libgcc_s.so.1 => /lib64/libgcc_s.so.1 (0x00002ae4e9947000)</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>libsz.so.2 => /apps/SZIP/2.1.1/INTEL/lib/libsz.so.2 (0x00002ae4e9b5e000)</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>libz.so.1 => /lib64/libz.so.1 (0x00002ae4e9d7e000)</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>libifport.so.5 => /apps/INTEL/2017.4/lib/intel64/libifport.so.5 (0x00002ae4e9f94000)</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>libifcoremt.so.5 => /apps/INTEL/2017.4/lib/intel64/libifcoremt.so.5 (0x00002ae4ea1c3000)</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>libimf.so => /apps/INTEL/2017.4/lib/intel64/libimf.so (0x00002ae4ea554000)</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>libsvml.so => /apps/INTEL/2017.4/lib/intel64/libsvml.so (0x00002ae4eaa41000)</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>libintlc.so.5 => /apps/INTEL/2017.4/lib/intel64/libintlc.so.5 (0x00002ae4eb95a000)</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>libirng.so => /apps/INTEL/2017.4/lib/intel64/libirng.so (0x00002ae4ebbc6000)</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>/lib64/ld-linux-x86-64.so.2 (0x000055e523746000)</div></div><div class=""></div></body></html>