<html><head></head><body><div class="yahoo-style-wrap" style="font-family:times new roman, new york, times, serif;font-size:13px;"><div dir="ltr" data-setdir="false">Dear Professors,</div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false">I would like to compute the effective mass and tried to compile the software mstar in combination with wien2 kby using gfortran, which is provided by Prof Oleg Rubel. I have read through the mailing list and Prof Oleg mentioned that Prof Peter Blaha, compiled the code with gfortran and worked fine.</div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false">I have commented the part related to ifort and uncommented the gfortran in the makefile:</div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false"><div><table data-hpc="" class="ydpd96c0696highlight ydpd96c0696tab-size ydpd96c0696js-file-line-container ydpd96c0696js-code-nav-container ydpd96c0696js-tagsearch-file" data-tab-size="8" data-paste-markdown-skip="" data-tagsearch-lang="Makefile" data-tagsearch-path="makefile" style="border-collapse: collapse; color: rgb(36, 41, 47); font-family: -apple-system, BlinkMacSystemFont, "Segoe UI", "Noto Sans", Helvetica, Arial, sans-serif, "Apple Color Emoji", "Segoe UI Emoji"; font-size: 14px;"><tbody><tr style="background-color: transparent;"><td id="ydpd96c0696LC22" class="ydpd96c0696blob-code ydpd96c0696blob-code-inner ydpd96c0696js-file-line" style="padding: 0px 10px; position: relative; line-height: 20px; vertical-align: top; font-family: ui-monospace, SFMono-Regular, "SF Mono", Menlo, Consolas, "Liberation Mono", monospace; font-size: 12px; white-space: pre-wrap;"><span class="ydpd96c0696pl-c">FC = gfortran</span></td></tr><tr><td id="ydpd96c0696L23" class="ydpd96c0696blob-num ydpd96c0696js-line-number ydpd96c0696js-code-nav-line-number ydpd96c0696js-blob-rnum" data-line-number="23" style="padding: 0px 10px; position: relative; width: 50px; min-width: 50px; font-family: ui-monospace, SFMono-Regular, "SF Mono", Menlo, Consolas, "Liberation Mono", monospace; font-size: 12px; line-height: 20px; text-align: right; white-space: nowrap; vertical-align: top; cursor: pointer;"></td><td id="ydpd96c0696LC23" class="ydpd96c0696blob-code ydpd96c0696blob-code-inner ydpd96c0696js-file-line" style="padding: 0px 10px; position: relative; line-height: 20px; vertical-align: top; font-family: ui-monospace, SFMono-Regular, "SF Mono", Menlo, Consolas, "Liberation Mono", monospace; font-size: 12px; white-space: pre-wrap;"><span class="ydpd96c0696pl-c">FCFLAGS = -I${MKLROOT}/include -fopenmp -g -fbacktrace -ffpe-summary=none</span></td></tr><tr style="background-color: transparent;"><td id="ydpd96c0696L24" class="ydpd96c0696blob-num ydpd96c0696js-line-number ydpd96c0696js-code-nav-line-number ydpd96c0696js-blob-rnum" data-line-number="24" style="padding: 0px 10px; position: relative; width: 50px; min-width: 50px; font-family: ui-monospace, SFMono-Regular, "SF Mono", Menlo, Consolas, "Liberation Mono", monospace; font-size: 12px; line-height: 20px; text-align: right; white-space: nowrap; vertical-align: top; cursor: pointer;"></td><td id="ydpd96c0696LC24" class="ydpd96c0696blob-code ydpd96c0696blob-code-inner ydpd96c0696js-file-line" style="padding: 0px 10px; position: relative; line-height: 20px; vertical-align: top; font-family: ui-monospace, SFMono-Regular, "SF Mono", Menlo, Consolas, "Liberation Mono", monospace; font-size: 12px; white-space: pre-wrap;"><span class="ydpd96c0696pl-c">FLFLAGS = -L${MKLROOT}/lib/intel64 -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -lpthread -fopenmp -ldl -g -fbacktrace -ffpe-summary=none</span></td></tr></tbody></table></div><br></div><div dir="ltr" data-setdir="false">All object files were created but it seems that the problem is related to the routines of diagonalization.</div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false">Please find below the error that I got, I appreciate your help.</div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false">--------------</div><div dir="ltr" data-setdir="false"><div><p class="ydpaa5a1710MsoNormal"><span style="font-size:12.0pt;line-height:107%">make</span></p>
<p class="ydpaa5a1710MsoNormal"><span style="font-size:12.0pt;line-height:107%">gfortran
-L/opt/intel/compilers_and_libraries_2017.4.196/linux/mkl/lib/intel64
-lmkl_gf_lp64 -lmkl_sequential -lmkl_core -lpthread -fopenmp -g -fbacktrace -ffpe-summary=none -o mstar read_mommat_pij_vasp.o mstar.o eigvs.o
read_mommat_pij.o kdelta.o read_numlines_vasp.o read_numlines.o eigvz.o
read_mommat_nb.o dgenen.o</span></p>
<p class="ydpaa5a1710MsoNormal"><span style="font-size:12.0pt;line-height:107%">/usr/bin/ld:
eigvs.o: in function `eigvs_':</span></p>
<p class="ydpaa5a1710MsoNormal"><span style="font-size:12.0pt;line-height:107%">/home/mstar-master/eigvs.f90:44:
undefined reference to `ssyevd_'</span></p>
<p class="ydpaa5a1710MsoNormal"><span style="font-size:12.0pt;line-height:107%">/usr/bin/ld:
/mstar-master/eigvs.f90:61: undefined reference to `ssyevd_'</span></p>
<p class="ydpaa5a1710MsoNormal"><span style="font-size:12.0pt;line-height:107%">/usr/bin/ld:
eigvz.o: in function `eigvz_':</span></p>
<p class="ydpaa5a1710MsoNormal"><span style="font-size:12.0pt;line-height:107%">/home/ mstar-master/eigvz.f90:49:
undefined reference to `cheevd_'</span></p>
<p class="ydpaa5a1710MsoNormal"><span style="font-size:12.0pt;line-height:107%">/usr/bin/ld:
/home/mstar-master/eigvz.f90:67: undefined reference to `cheevd_'</span></p>
<p class="ydpaa5a1710MsoNormal"><span style="font-size:12.0pt;line-height:107%">collect2:
error: ld returned 1 exit status</span></p>
<p class="ydpaa5a1710MsoNormal"><span style="font-size:12.0pt;line-height:107%">make: ***
[makefile:43: mstar] Error 1</span></p></div>----------</div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false">Looking forward for your answer to solve my problem.</div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false">Kind regards,</div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false">Halim Said</div></div></body></html>