<div dir="ltr"><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>Dear Users,</b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b><br></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>I keep getting the following error in the CRAY compilation of WIEN2k (this occurs in routines which require FFTW such as lapw0, lapw1, etc.):</b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b> <u></u></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>Error:<u></u><u></u></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>Version FFTW3 of fftw is not compatible with craype/2.x.<u></u><u></u></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>If fftw/FFTW3 is not required:<u></u><u></u></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>'module swap fftw fftw/<a href="http://3.3.0.4/" target="_blank" style="color:rgb(17,85,204)">3.3.0.4</a><span> </span>(or newer)'.</b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b><br></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b><br></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>I find the error surprising because I am using the latest version of FFTW3 (version 3.3.10.6). <br></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b><br></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>Any suggestions on how to fix this problem would be appreciated.</b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b><br></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b><br></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>Below are my important compilation details.<br></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b><br></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b><br></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>module swap PrgEnv-cray/8.5.0 PrgEnv-intel/8.5.0</b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>module load cray-mpich/8.1.28<br></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>module load intel-oneapi/2023.2.0</b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>module load intel-mkl/2023.2.0</b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>module load cray-fftw/<a href="http://3.3.10.6">3.3.10.6</a></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><br></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>Fortran MPI compiler: ftn</b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>C compiler: cc<br></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>FFTW3 version: 3.3.10.6<br></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b><br></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b><br></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>Current settings:</b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>  M   OpenMP switch:           -qopenmp<u></u><u></u></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>  O   Compiler options:        -O -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io -I$(MKLROOT)/include<u></u><u></u></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>  L   Linker Flags:            $(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -lpthread -lm -ldl -liomp5<u></u><u></u></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>  P   Preprocessor flags       '-DParallel'<u></u><u></u></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>  R   R_LIBS (LAPACK+BLAS):    -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core<u></u><u></u></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>  F   FFTW options:            -DFFTW3 -DFFTW_OMP -I/opt/cray/pe/fftw/<a href="http://3.3.10.6/x86_rome/include" target="_blank" style="color:rgb(17,85,204)">3.3.10.6/x86_rome/include</a><u></u><u></u></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>      FFTW-LIBS:               -L/opt/cray/pe/fftw/<a href="http://3.3.10.6/x86_rome/lib" target="_blank" style="color:rgb(17,85,204)">3.3.10.6/x86_rome/lib</a><span> </span>-lfftw3 -lfftw3_omp<u></u><u></u></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>      FFTW-PLIBS:              -lfftw3_mpi<u></u><u></u></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>  X   LIBX options:<u></u><u></u></b></p><p class="MsoNormal" style="margin:0px;color:rgb(34,34,34);font-family:Arial,Helvetica,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;white-space:normal;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>      LIBXC-LIBS:<u></u><u></u></b></p></div>