<div dir="ltr"><div dir="ltr"><div dir="ltr">Hi, Matt<div><br></div><div>I updated the files by using git pull. The error disappeared. However the command "make -j 104 ARCH=local VERSION="ssmp sdbg psmp pdbg"" ran into another error in the end :</div><div><br></div><div><div>... ... </div><div>-L/home/jibiaoli/intel/oneapi/mkl/2022.1.0/lib/intel64 -Wl,-rpath,/home/jibiaoli/intel/oneapi/mkl/2022.1.0/lib/intel64 -Wl,--start-group -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group -lpthread -lm -ldl -lvori -lstdc++ -lstdc++</div><div>cd /home/jibiaoli/codes/cp2k/exe/local; ln -sf cp2k.ssmp cp2k_shell.ssmp</div><div>cd /home/jibiaoli/codes/cp2k/exe/local; ln -sf cp2k.ssmp cp2k.sopt</div><div>make: *** [Makefile:123: all] Error 2</div></div><div><br></div><div>Your help is highly required to remove the errors</div><div><br></div><div>Regards</div><div><br></div><div>Jibiao Li</div></div></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, 21 Jun 2023 at 17:14, Matt Watkins <<a href="mailto:mattwatkinsuk@gmail.com">mattwatkinsuk@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div>Hi,</div><div>quick suggestions to check before looking any deeper:</div><div>(i) clean your distribution (make distclean) so there are no old files left around</div><div>(ii) update files (git pull) just in case</div><div>then try again. <br></div><div>Matt<br></div><br><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Wednesday, 21 June 2023 at 09:19:22 UTC+1 Jibiao Li wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"> Hi, all<div><br></div><div>I just found that the file under /home/jibiaoli/codes/cp2k/exts/dbcsr/src/base is "dbcsr_machine.F" rather than "dbcsr_machine.F90". So I changed to the file name from the former to the latter. </div><div>Now I try to run the command : make -j 8 ARCH=Linux-intel-x86_64 VERSION=psmp</div><div><br></div><div>It gives the following message:</div><div>Discovering programs ...<br>make -C /home/jibiaoli/codes/cp2k/exts/dbcsr -f /home/jibiaoli/codes/cp2k/exts/build_dbcsr/Makefile \<br> ARCHFILE=/home/jibiaoli/codes/cp2k/arch/Linux-intel-x86_64.psmp \<br> LIBDIR=/home/jibiaoli/codes/cp2k/lib/Linux-intel-x86_64/psmp/exts/dbcsr \<br> OBJDIR=/home/jibiaoli/codes/cp2k/obj/Linux-intel-x86_64/psmp/exts/dbcsr \<br> USE_ACCEL="" \<br> ACC="" \<br> ACCFLAGS=""<br>Removing stale archives for psmp ... <br>Resolving dependencies for psmp ... <br>Removing stale archives ... <br>Resolving dependencies ... <br>makedep error: Circular package dependency: libdbcsr -> libdbcsr -> libdbcsr<br>make[3]: *** [/home/jibiaoli/codes/cp2k/exts/build_dbcsr/Makefile:228: makedep] Error 1</div><div><br>make[2]: *** [/home/jibiaoli/codes/cp2k/exts/Makefile.inc:38: dbcsr] Error 2<br>make[2]: *** Waiting for unfinished jobs....<br>make[1]: *** [/home/jibiaoli/codes/cp2k/Makefile:128: psmp] Error 2<br>make: *** [Makefile:123: all] Error 2<br></div><div></div><div><br></div><div>I need your help to resolve this problem as I am completely new to LINUX and CP2K.</div><div><br></div><div>Regards</div><div><br></div><div>Jibiao Li</div><div><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Wednesday, 21 June 2023 at 16:05:20 UTC+8 Jibiao Li wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div style="line-height:1.5;color:rgb(0,0,0);font-family:Verdana">Hi, all</div><div style="line-height:1.5;color:rgb(0,0,0);font-family:Verdana"><br></div><div style="line-height:1.5;color:rgb(0,0,0);font-family:Verdana">I am new to LINUX and CP2K. I tried to get the code using the command:</div><div style="line-height:1.5;color:rgb(0,0,0);font-family:Verdana">git clone -b support/v2023.1 --recursive <a href="https://github.com/cp2k/cp2k.git" rel="nofollow" target="_blank">https://github.com/cp2k/cp2k.git</a> cp2k</div><div style="line-height:1.5;color:rgb(0,0,0);font-family:Verdana"><br></div><div style="line-height:1.5;color:rgb(0,0,0);font-family:Verdana">then I tried to make the code using the command:</div><div style="line-height:1.5;color:rgb(0,0,0);font-family:Verdana">make -j 8 ARCH=Linux-intel-x86_64 VERSION=psmp<br></div><div style="line-height:1.5;color:rgb(0,0,0);font-family:Verdana"><br></div><div style="line-height:1.5;color:rgb(0,0,0);font-family:Verdana">but errors appeared:</div><div style="line-height:1.5;color:rgb(0,0,0);font-family:Verdana"><br></div>Resolving dependencies ... <br>/usr/bin/env python3 /home/jibiaoli/codes/cp2k/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /home/jibiaoli/codes/cp2k/exts/dbcsr/src/base/dbcsr_machine.F dbcsr_machine.F90<br>mpiifort -c -O2 -fopenmp -fp-model precise -funroll-loops -g -qopenmp-simd -traceback -xHost -I/home/jibiaoli/codes/cp2k/tools/toolchain/install/libxc-6.0.0/include -I/home/jibiaoli/codes/cp2k/tools/toolchain/install/libxsmm-1.17/include -D__parallel -D__SCALAPACK -D__MKL -D__FFTW3 -D__LIBXSMM -D__MAX_CONTR=4 -D__LIBXC -D__LIBXSMM -I/home/jibiaoli/intel/oneapi/mkl/2022.1.0/include -I/home/jibiaoli/intel/oneapi/mkl/2022.1.0/include/fftw -diag-disable=8291 -diag-disable=8293 -fpp -free -D__SHORT_FILE__="\"dbcsr_machine.F\"" -I'/home/jibiaoli/codes/cp2k/exts/dbcsr/src/base/' -I'/home/jibiaoli/codes/cp2k/exts/dbcsr/src' dbcsr_machine.F90 <br>/home/jibiaoli/codes/cp2k/exts/dbcsr/src/base/dbcsr_machine.F(62): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [LIBXSMM]<br> USE libxsmm, ONLY: libxsmm_timer_tick, libxsmm_timer_duration<br>----------^<br>/home/jibiaoli/codes/cp2k/exts/dbcsr/src/base/dbcsr_machine.F(67): error #6406: Conflicting attributes or multiple declaration of name. [LIBXSMM_TIMER_DURATION]<br> wt = libxsmm_timer_duration(0_int_8, libxsmm_timer_tick())<br>-----------^<br>/home/jibiaoli/codes/cp2k/exts/dbcsr/src/base/dbcsr_machine.F(62): error #6580: Name in only-list does not exist or is not accessible. [LIBXSMM_TIMER_TICK]<br> USE libxsmm, ONLY: libxsmm_timer_tick, libxsmm_timer_duration<br>-------------------------^<br>/home/jibiaoli/codes/cp2k/exts/dbcsr/src/base/dbcsr_machine.F(62): error #6580: Name in only-list does not exist or is not accessible. [LIBXSMM_TIMER_DURATION]<br> USE libxsmm, ONLY: libxsmm_timer_tick, libxsmm_timer_duration<br>---------------------------------------------^<br>compilation aborted for dbcsr_machine.F90 (code 1)<br>make[4]: *** [/home/jibiaoli/codes/cp2k/exts/build_dbcsr//Makefile:258: dbcsr_machine.o] Error 1<br>make[3]: *** [/home/jibiaoli/codes/cp2k/exts/build_dbcsr/Makefile:179: libdbcsr] Error 2<br>make[2]: *** [/home/jibiaoli/codes/cp2k/exts/Makefile.inc:38: dbcsr] Error 2<br>make[2]: *** Waiting for unfinished jobs....<br>make[1]: *** [/home/jibiaoli/codes/cp2k/Makefile:128: psmp] Error 2<br>make: *** [Makefile:123: all] Error 2<br><div><br></div><div>Your help is highly required!</div><div><br></div><div>Regards</div><div><br></div><div>Jibiao Li</div><div>Chongqing, China</div></blockquote></div></blockquote></div> <p></p> -- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com" target="_blank">cp2k+unsubscribe@googlegroups.com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/b0210cd6-1c2a-467c-a050-39d5ad9d4c43n%40googlegroups.com?utm_medium=email&utm_source=footer" target="_blank">https://groups.google.com/d/msgid/cp2k/b0210cd6-1c2a-467c-a050-39d5ad9d4c43n%40googlegroups.com</a>.<br> </blockquote></div> <p></p> -- <br /> You received this message because you are subscribed to the Google Groups "cp2k" group.<br /> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>.<br /> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CAAk9cEhpP9t-4Bip-eeverE8aOgxcBvTjxSs8QMH8D0BTn23mw%40mail.gmail.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/CAAk9cEhpP9t-4Bip-eeverE8aOgxcBvTjxSs8QMH8D0BTn23mw%40mail.gmail.com</a>.<br />