<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">OK, the results of the argon06 are rather surprising. There is no crash in the batch, as opposed to regtest, environment. However, the psmp answers are wrong,<div class="">even with OMP1. The timings are quite strange too!<div class=""><br class=""></div><div class="">MPI: 64</div><div class=""><br class=""></div><div class="">Intel POPT gives</div><div class="">Total Energy = -85.1949606240 time 30.98</div><div class="">regtest -85.19494678034609</div><div class=""><br class=""></div><div class="">Intel PSMP OMP=1 gives</div><div class="">85.1906685165 time 434.5</div><div class="">Intel PSMP OMP=2 gives</div><div class="">-85.1907567561 time 436.9</div><div class="">Intel PSMP OMP=4 gives</div><div class="">-85.1915871949 time 8.2</div><div class=""><br class=""></div><div class="">Intel PSMP MPI 4 OMP=4 gives</div><div class="">-85.18890965 4.5 seconds 18:33:12.002 18:33:04.127</div><div class=""></div><div class=""> <br class=""><div class=""> <div style="color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">---<br class="">Ron Cohen<br class=""><a href="mailto:reco...@gmail.com" class="">reco...@gmail.com</a><br class="">skypename: ronaldcohen</div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">twitter: @recohen3<br class=""><div class=""><br class=""></div></div><br class="Apple-interchange-newline"><br class="Apple-interchange-newline"> </div> <div><br class=""><blockquote type="cite" class=""><div class="">On Jan 8, 2019, at 11:07 AM, Alfio Lazzaro <<a href="mailto:alfio....@gmail.com" class="">alfio....@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class=""><div class="">OK, let's focus on this test then.</div><div class="">The message is not really useful. Could you try a single thread? I think 18.0.5 should be fine, but I would suggest to start with -O0 run. Somehow it should run. Then we can use the output as a reference....Alfio</div><div class=""><br class=""></div><div class="">Alfio</div><div class=""><br class=""></div><div class=""><br class=""></div><br class=""><br class="">Il giorno martedì 8 gennaio 2019 10:12:58 UTC+1, Ronald Cohen ha scritto:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div style="word-wrap:break-word;line-break:after-white-space" class="">Thank you so much. I don’t have 18.03 installed. I was also having problem with earlier versions, but did not document so carefully<div class="">and did not run regtests. When I try my own job (not the regtest) with non-local vdW PSMP just never converges and it segfaults on the stress calculation.</div><div class=""><br class=""></div><div class=""><br class=""><div class=""><br class=""></div><div class="">Here is the end of the argon07 test:<div class=""><br class=""></div><div class=""><div class=""> Leaving inner SCF loop after reaching 2 steps.</div><div class=""><br class=""></div><div class=""><br class=""></div><div class=""> Electronic density on regular grids: -32.0000000000 0.0000000000</div><div class=""> Core density on regular grids: 31.9999999977 -0.0000000023</div><div class=""> Total charge density on r-space grids: -0.0000000023</div><div class=""> Total charge density g-space grids: -0.0000000023</div><div class=""><br class=""></div><div class=""> Overlap energy of the core charge distribution: 0.00000000000000</div><div class=""> Self energy of the core charge distribution: -180.54066673528200</div><div class=""> Core Hamiltonian energy: 42.11893140752033</div><div class=""> Hartree energy: 68.47313966072379</div><div class=""> Exchange-correlation energy: -15.35702018709375</div><div class=""> Dispersion energy: 0.25474393253353</div><div class=""><br class=""></div><div class=""> Total energy: -85.05087192159809</div><div class=""><br class=""></div><div class=""> *** WARNING in qs_scf.F:542 :: SCF run NOT converged ***</div><div class=""><br class=""></div><div class="">forrtl: severe (174): SIGSEGV, segmentation fault occurred</div><div class="">forrtl: severe (174): SIGSEGV, segmentation fault occurred</div><div class="">forrtl: severe (174): SIGSEGV, segmentation fault occurred</div><div class="">forrtl: severe (174): SIGSEGV, segmentation fault occurred</div><div class="">forrtl: severe (174): SIGSEGV, segmentation fault occurred</div><div class="">forrtl: severe (174): SIGSEGV, segmentation fault occurred</div><div class="">forrtl: severe (174): SIGSEGV, segmentation fault occurred</div><div class="">forrtl: severe (174): SIGSEGV, segmentation fault occurred</div><div class="">EXIT CODE: 174 MEANING: RUNTIME FAIL</div><div class="">xxxxxxxxxxxxxxxxxxxxxxxxxxxxxx<wbr class="">xxxxxxxxxxxxxxxxxxxxxxxxxxxxxx<wbr class="">xxx</div><div class="">xxxxxxxxxxxxxxxxxxxxxxxxxxxxxx<wbr class="">xxxxxxxxxxxxxxxxxxxxxxxxxxxx</div><div class=""><br class=""></div><div class=""><br class=""></div><div class=""><br class=""></div><div class=""> <div style="font-family: Helvetica; font-style: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; word-wrap: break-word; line-break: after-white-space;" class="">---<br class="">Ron Cohen<br class=""><a target="_blank" gdf-obfuscated-mailto="yYCf7MnTDQAJ" rel="nofollow" class="">rec...@gmail.com</a><br class="">skypename: ronaldcohen</div><div style="font-family: Helvetica; font-style: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; word-wrap: break-word; line-break: after-white-space;" class="">twitter: @recohen3<br class=""><div class=""><br class=""></div></div><br class=""><br class=""> </div> <div class=""><br class=""><blockquote type="cite" class=""><div class="">On Jan 8, 2019, at 9:13 AM, Alfio Lazzaro <<a target="_blank" gdf-obfuscated-mailto="yYCf7MnTDQAJ" rel="nofollow" class="">alfi...@gmail.com</a>> wrote:</div><br class=""><div class=""><div dir="ltr" class=""><div class="">Hi Ron,</div><div class="">Could you share one of the FAILED logs? For instance the log of argon07.inp. The regtests script prints the last part of the log at the end of its execution... My suspicious is that these failing tests are dying because of a numerical assert in CP2K, so they can be included in the WRONG category. Now, you are saying that the problem comes from PSMP build, so my first try (very conservative) would be to use a single thread and see if it works. Note that CP2K tests with 2 threads (while you are using 4). Another possibility would be to avoid AVX512 vectorization (CP2K doesn't test it yet). Also, I have just realized that CP2K doesn't test 18.0.5 for PSMP and 19.x at all (see CP2K tests at <a href="https://dashboard.cp2k.org/" target="_blank" rel="nofollow" class="">https://dashboard.cp2k.org/</a> ). So, my suggestion is to reproduce what it is already tested by CP2K. A good starting point is this test </div><div class=""> </div><div class=""><a href="https://www.cp2k.org/static/regtest/trunk/swan-skl28/CRAY-XC40-intel-mkl.psmp_18.0.3.222.out" target="_blank" rel="nofollow" class="">https://www.cp2k.org/static/<wbr class="">regtest/trunk/swan-skl28/CRAY-<wbr class="">XC40-intel-mkl.psmp_18.0.3.<wbr class="">222.out</a><br class=""></div><div class=""><br class=""></div><div class="">Alfio</div><br class=""><br class="">Il giorno lunedì 7 gennaio 2019 20:34:23 UTC+1, Ronald Cohen ha scritto:<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="auto" class="">I did build also with precise but did not help. The values are very wrong , not slightly. Ron<br class=""><br class=""><div dir="ltr" class="">Sent from my iPhone</div><div dir="ltr" class=""><br class="">On Jan 7, 2019, at 20:13, Anton Kudelin <<a rel="nofollow" class="">arch...@gmail.com</a>> wrote:<br class=""><br class=""></div><blockquote type="cite" class=""><div dir="ltr" class=""><div dir="ltr" class="">Could you add "-fp-model precise" to CFLAGS and FCFLAGS? It won't fix 'RUNTIME FAIL', but could help with 'WRONG RESULT'.<br class=""><br class="">On Monday, January 7, 2019 at 9:06:28 PM UTC+3, Ronald Cohen wrote:<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div style="word-wrap:break-word;line-break:after-white-space" class="">So I tried:<div class=""><div class=""><br class=""></div><div class="">export KMP_STACKSIZE=512M</div><div class="">rcohen@tomcat3:~/CP2K/cp2k$ ./tools/regtesting/do_regtest -arch Linux-x86-64-intel -version psmp -restrictdir QS/regtest-dft-vdw-corr-1/ -restrictdir QS/regtest-dft-vdw-corr-2/ -restrictdir QS/regtest-dft-vdw-corr-3/ -restrictdir QS/regtest-dft-vdw-corr-3/ -nobuild -mpiranks 4 -ompthreads 4 -maxtasks 16 |& tee testwith512MKMP_STACKSIZE.out &</div><div class="">and I still get:</div><div class=""><br class=""></div><div class=""><div class="">< /home/rcohen/CP2K/cp2k/TEST-<wbr class="">Linux-x86-64-intel-psmp-2019-<wbr class="">01-07_18-24-16/tests/QS/<wbr class="">regtest-dft-vdw-corr-3 (1 of 3) done in 775.00 sec</div><div class="">>>> /home/rcohen/CP2K/cp2k/TEST-<wbr class="">Linux-x86-64-intel-psmp-2019-<wbr class="">01-07_18-24-16/tests/QS/<wbr class="">regtest-dft-vdw-corr-3</div><div class=""> argon05.inp -85.02462435591488 WRONG RESULT TEST 1 </div><div class=""> argon06.inp -85.18989253445228 WRONG RESULT TEST 1 </div><div class=""> argon07.inp -85.05087192159809 RUNTIME FAIL </div><div class=""> argon08.inp -85.05201740647929 RUNTIME FAIL </div><div class=""> argon09.inp -85.05086520280044 RUNTIME FAIL </div><div class=""> argon10.inp -85.05070440200512 RUNTIME FAIL </div><div class=""> argon11.inp -84.69892988333885 RUNTIME FAIL </div><div class=""> argon12.inp -84.69900817368848 RUNTIME FAIL </div><div class=""> argon13.inp -84.81306482759408 WRONG RESULT TEST 1 </div><div class=""> argon14.inp -84.69889654472566 WRONG RESULT TEST 1 </div><div class=""> argon-beef.inp -42.46311172518392 WRONG RESULT TEST 1 </div><div class=""> dftd3bj_t1.inp -0.00355123783846 OK ( 1.19 sec) </div><div class=""> dftd3bj_t2.inp -0.05897356220363 OK ( 2.20 sec) </div><div class=""> dftd3bj_t3.inp -0.00112424003807 OK ( 3.75 sec) </div><div class=""> dftd3bj_t4.inp -84.2983390350 OK ( 3.86 sec) </div><div class=""><<< /home/rcohen/CP2K/cp2k/TEST-<wbr class="">Linux-x86-64-intel-psmp-2019-<wbr class="">01-07_18-24-16/tests/QS/<wbr class="">regtest-dft-vdw-corr-3 (1 of 3) done in 775.00 sec</div><div class="">Starting regression tests in /home/rcohen/CP2K/cp2k/TEST-<wbr class="">Linux-x86-64-intel-psmp-2019-<wbr class="">01-07_18-24-16/tests/QS/<wbr class="">regtest-dft-vdw-corr-2 (2 of 3)</div><div class="">Starting regression tests in /home/rcohen/CP2K/cp2k/TEST-<wbr class="">Linux-x86-64-intel-psmp-2019-<wbr class="">01-07_18-24-16/tests/QS/<wbr class="">regtest-dft-vdw-corr-2 (2 of 3)</div><div class=""><br class=""></div></div><div class=""><br class=""></div><div class="">Almost all of the non vdw routines pass.</div><div class=""><br class=""></div><div class="">Sincerely,</div><div class=""><br class=""></div><div class="">Ron</div><div class=""><br class=""></div><div class=""> <div style="font-family:Helvetica;font-style:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:-webkit-auto;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;word-wrap:break-word;line-break:after-white-space" class="">---<br class="">Ron Cohen<br class=""><a rel="nofollow" class="">rec...@gmail.com</a><br class="">skypename: ronaldcohen</div><div style="font-family:Helvetica;font-style:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:-webkit-auto;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;word-wrap:break-word;line-break:after-white-space" class="">twitter: @recohen3<br class=""><div class=""><br class=""></div></div><br class=""><br class=""> </div> <div class=""><br class=""><blockquote type="cite" class=""><div class="">On Jan 7, 2019, at 6:12 PM, Robert Schade <<a rel="nofollow" class="">robe...@uni-paderborn.de</a>> wrote:</div><br class=""><div class=""><div class=""><div class=""><div class="">Signed PGP part</div><div class="">Could you try setting KMP_STACKSIZE to something large in the terminal<br class="">session with "export KMP_STACKSIZE=512m" before you rerun the regtests<br class="">with your intel-psmp-binary that failed before?<br class="">Please also make sure that the general stack size is not the problem<br class="">by running "ulimt -s unlimited" in the same terminal where you want to<br class="">execute the regtests.<br class="">Best Wishes<br class="">Robert<br class=""><br class="">On 07.01.19 18:00, Ronald Cohen wrote:<br class="">> BTW, in case it was not clear. My Intel builds of POPT and PSMP<br class="">> versions were error free. The problems were all run time.<br class="">><br class="">> Ron<br class="">><br class="">> --- Ron Cohen <a rel="nofollow" class="">rec...@gmail.com</a> <<a rel="nofollow" class="">mailto:...@gmail.com</a>><br class="">> skypename: ronaldcohen twitter: @recohen3<br class="">><br class="">><br class="">><br class="">><br class="">>> On Jan 7, 2019, at 5:39 PM, Robert Schade<br class="">>> <<a rel="nofollow" class="">robe...@uni-paderborn.de</a><br class="">>> <<a rel="nofollow" class="">mailto:rob...@uni-paderborn.<wbr class="">de</a>>> wrote:<br class="">>><br class="">>> Signed PGP part r is automatically private because it is the<br class="">>> first iteration variable. Every drho(s, i) is only read and<br class="">>> written in exactly one loop iteration. The statement<br class="">>> "COLLAPSE(3)" collapses the three perfectly nested loops into one<br class="">>> loop. So, IMHO, this code looks ok. Best Wishes Robert<br class="">>><br class="">>><br class="">>> On 07.01.19 14:52, Ronald Cohen wrote:<br class="">>>> Yes, I agree. I have tried the 2018.05 and the 2019.1 intel<br class="">>>> compilers. The POPT version runs fine, but the PSMP version<br class="">>>> fails in the vDW routines. I find things like: in<br class="">>>> qs_dispersion_nonloc.F<br class="">>>><br class="">>>> !$OMP PARALLEL DO DEFAULT(NONE)<span class=""> <wbr class=""> </span> & !$OMP<br class="">>>> SHARED(ispin,i,n,lo,drho,drho_<wbr class="">r)<span class=""> </span> & !$OMP<br class="">>>> PRIVATE(s) & !$OMP<span class=""> </span> COLLAPSE(3) DO r = 0, n(3)-1 DO<br class="">>>> q = 0, n(2)-1 DO p = 0, n(1)-1 s = r*n(2)*n(1)+q*n(1)+p+1<br class="">>>> drho(s, i) = drho(s, i)+drho_r(i, ispin)%pw%cr3d(p+lo(1), q<br class="">>>> +lo(2), r+lo(3)) END DO END DO END DO !$OMP END PARALLEL DO END<br class="">>>> DO END DO<br class="">>>><br class="">>>> Doesn’t this have to be marked as a reduction? And shouldn’t r,<br class="">>>> q, p be labeled private? Perhaps this is automatic, but I do<br class="">>>> not see that said anywhere. Does gnu treat such differently<br class="">>>> than intel? Just ideas.<br class="">>>><br class="">>>> I am currently trying the toolchain, but it is building<br class="">>>> everything from scratch, including blas, lapack, scalapack etc<br class="">>>> etc, so will take days.<br class="">>>><br class="">>>> Thank you for your help,<br class="">>>><br class="">>>> Sincerely,<br class="">>>><br class="">>>> Ron<br class="">>>><br class="">>>> --- Ron Cohen <a rel="nofollow" class="">rec...@gmail.com</a> <<a rel="nofollow" class="">mailto:...@gmail.com</a>><br class="">>> <<a rel="nofollow" class="">mailto:...@gmail.com</a>><br class="">>>> skypename: ronaldcohen twitter: @recohen3<br class="">>>><br class="">>>><br class="">>>><br class="">>>><br class="">>>>> On Jan 7, 2019, at 2:16 PM, Robert Schade<br class="">>>>> <<a rel="nofollow" class="">robe...@uni-paderborn.de</a><br class="">>>>> <<a rel="nofollow" class="">mailto:rob...@uni-paderborn.<wbr class="">de</a>><br class="">>>>> <<a rel="nofollow" class="">mailto:rob...@uni-paderborn.<wbr class="">de</a>>> wrote:<br class="">>>>><br class="">>>>> Building cp2k on Intel Xeon Phi Knights Landing (KNL, not to<br class="">>>>> be confused with KNC!) is not different from building it on<br class="">>>>> any other Intel CPU. Hence, I think that the failing regtests<br class="">>>>> point to an underlying issue. Which exact version of the<br class="">>>>> Intel Compiler and MKL have you tried? Best Wishes Robert<br class="">>>>><br class="">>>>> On 06.01.19 01:59, Ronald Cohen wrote:<br class="">>>>>> OK—sorry for all the noise. I am trying:<br class="">>>>>> ./install_cp2k_toolchain.sh --with-elpa=install<br class="">>>>>> --with-libint=install --with-gcc=install I hate not being<br class="">>>>>> able to use my intel tools which work for me for everything<br class="">>>>>> else just fine.<br class="">>>>>><br class="">>>>>> Ron<br class="">>>>>><br class="">>>>><br class="">>>>> -- Robert Schade Paderborn Center for Parallel Computing<br class="">>>>> (PC2) University of Paderborn Warburger Str. 100 D-33098<br class="">>>>> Paderborn Germany <a rel="nofollow" class="">robe...@uni-paderborn.de</a><br class="">>> <<a rel="nofollow" class="">mailto:rob...@uni-paderborn.<wbr class="">de</a>><br class="">>>>> <<a rel="nofollow" class="">mailto:rob...@uni-paderborn.<wbr class="">de</a>> +49/(0)5251/60-5393<br class="">>>>><br class="">>>>> -- You received this message because you are subscribed to a<br class="">>>>> topic in the Google Groups "cp2k" group. To unsubscribe from<br class="">>>>> this topic, visit<br class="">>>>> <a href="https://groups.google.com/d/topic/cp2k/gzmRqKNt62U/unsubscribe" rel="nofollow" target="_blank" class="">https://groups.google.com/d/<wbr class="">topic/cp2k/gzmRqKNt62U/<wbr class="">unsubscribe</a>.<br class="">>><br class="">>>>><br class="">>> To unsubscribe from this group and all its topics, send an email<br class="">>>>> to <a rel="nofollow" class="">cp2k+...@googlegroups.com</a><br class="">>> <<a rel="nofollow" class="">mailto:cp2...@googlegroups.<wbr class="">com</a>>. To post to this<br class="">>> group, send<br class="">>>>> email to <a rel="nofollow" class="">cp...@googlegroups.com</a><br class="">>>>> <<a rel="nofollow" class="">mail...@googlegroups.com</a>>.<br class="">>> Visit this group at<br class="">>>>> <a href="https://groups.google.com/group/cp2k" rel="nofollow" target="_blank" class="">https://groups.google.com/<wbr class="">group/cp2k</a>. For more options,<br class="">>>>> visit <a href="https://groups.google.com/d/optout" rel="nofollow" target="_blank" class="">https://groups.google.com/d/<wbr class="">optout</a>.<br class="">>>><br class="">>>> -- You received this message because you are subscribed to the<br class="">>>> Google Groups "cp2k" group. To unsubscribe from this group and<br class="">>>> stop receiving emails from it, send an email to<br class="">>>> <a rel="nofollow" class="">cp2k+...@googlegroups.com</a><br class="">>> <<a rel="nofollow" class="">mailto:cp2...@googlegroups.<wbr class="">com</a>><br class="">>>> <<a rel="nofollow" class="">mailto:cp2...@googlegroups.<wbr class="">com</a>>. To post to this<br class="">>>> group, send email to <a rel="nofollow" class="">cp...@googlegroups.com</a><br class="">>>> <<a rel="nofollow" class="">mail...@googlegroups.com</a>> <<a rel="nofollow" class="">mail...@googlegroups.com</a>>.<br class="">>>> Visit this group at <a href="https://groups.google.com/group/cp2k" rel="nofollow" target="_blank" class="">https://groups.google.com/<wbr class="">group/cp2k</a>. For<br class="">>>> more options, visit <a href="https://groups.google.com/d/optout" rel="nofollow" target="_blank" class="">https://groups.google.com/d/<wbr class="">optout</a>.<br class="">>><br class="">>> -- Robert Schade Paderborn Center for Parallel Computing (PC2)<br class="">>> University of Paderborn Warburger Str. 100 D-33098 Paderborn<br class="">>> Germany <a rel="nofollow" class="">robe...@uni-paderborn.de</a><br class="">>> <<a rel="nofollow" class="">mailto:rob...@uni-paderborn.<wbr class="">de</a>> +49/(0)5251/60-5393<br class="">>><br class="">><br class="">> -- You received this message because you are subscribed to the<br class="">> Google Groups "cp2k" group. To unsubscribe from this group and stop<br class="">> receiving emails from it, send an email to<br class="">> <a rel="nofollow" class="">cp2k+...@googlegroups.com</a><br class="">> <<a rel="nofollow" class="">mailto:cp2...@googlegroups.<wbr class="">com</a>>. To post to this group,<br class="">> send email to <a rel="nofollow" class="">cp...@googlegroups.com</a><br class="">> <<a rel="nofollow" class="">mail...@googlegroups.com</a>>. Visit this group at<br class="">> <a href="https://groups.google.com/group/cp2k" rel="nofollow" target="_blank" class="">https://groups.google.com/<wbr class="">group/cp2k</a>. For more options, visit<br class="">> <a href="https://groups.google.com/d/optout" rel="nofollow" target="_blank" class="">https://groups.google.com/d/<wbr class="">optout</a>.<br class=""><br class="">--<br class="">Robert Schade<br class="">Paderborn Center for Parallel Computing (PC2)<br class="">University of Paderborn<br class="">Warburger Str. 100<br class="">D-33098 Paderborn<br class="">Germany<br class=""><a rel="nofollow" class="">robe...@uni-paderborn.de</a><br class="">+49/(0)5251/60-5393</div></div><br class=""></div></div></blockquote></div><br class=""></div></div></blockquote></div><div class=""><br class=""></div> -- <br class=""> You received this message because you are subscribed to a topic in the Google Groups "cp2k" group.<br class=""> To unsubscribe from this topic, visit <a href="https://groups.google.com/d/topic/cp2k/gzmRqKNt62U/unsubscribe" rel="nofollow" target="_blank" class="">https://groups.google.com/d/<wbr class="">topic/cp2k/gzmRqKNt62U/<wbr class="">unsubscribe</a>.<br class=""> To unsubscribe from this group and all its topics, send an email to <a rel="nofollow" class="">cp2k+...@googlegroups.com</a>.<br class=""> To post to this group, send email to <a rel="nofollow" class="">cp...@googlegroups.com</a>.<br class=""> Visit this group at <a href="https://groups.google.com/group/cp2k" rel="nofollow" target="_blank" class="">https://groups.google.com/<wbr class="">group/cp2k</a>.<br class=""> For more options, visit <a href="https://groups.google.com/d/optout" rel="nofollow" target="_blank" class="">https://groups.google.com/d/<wbr class="">optout</a>.<br class=""> </div></blockquote></div></blockquote></div><div class=""><br class=""></div> -- <br class=""> You received this message because you are subscribed to a topic in the Google Groups "cp2k" group.<br class=""> To unsubscribe from this topic, visit <a href="https://groups.google.com/d/topic/cp2k/gzmRqKNt62U/unsubscribe" target="_blank" rel="nofollow" class="">https://groups.google.com/d/<wbr class="">topic/cp2k/gzmRqKNt62U/<wbr class="">unsubscribe</a>.<br class=""> To unsubscribe from this group and all its topics, send an email to <a target="_blank" gdf-obfuscated-mailto="yYCf7MnTDQAJ" rel="nofollow" class="">cp2k+uns...@googlegroups.<wbr class="">com</a>.<br class=""> To post to this group, send email to <a target="_blank" gdf-obfuscated-mailto="yYCf7MnTDQAJ" rel="nofollow" class="">cp...@googlegroups.com</a>.<br class=""> Visit this group at <a href="https://groups.google.com/group/cp2k" target="_blank" rel="nofollow" class="">https://groups.google.com/<wbr class="">group/cp2k</a>.<br class=""> For more options, visit <a href="https://groups.google.com/d/optout" target="_blank" rel="nofollow" class="">https://groups.google.com/d/<wbr class="">optout</a>.<br class=""> </div></blockquote></div><br class=""></div></div></div></div></blockquote></div><div class=""><br class="webkit-block-placeholder"></div> -- <br class=""> You received this message because you are subscribed to a topic in the Google Groups "cp2k" group.<br class=""> To unsubscribe from this topic, visit <a href="https://groups.google.com/d/topic/cp2k/gzmRqKNt62U/unsubscribe" class="">https://groups.google.com/d/topic/cp2k/gzmRqKNt62U/unsubscribe</a>.<br class=""> To unsubscribe from this group and all its topics, send an email to <a href="mailto:cp2k+uns...@googlegroups.com" class="">cp2k+uns...@googlegroups.com</a>.<br class=""> To post to this group, send email to <a href="mailto:cp...@googlegroups.com" class="">cp...@googlegroups.com</a>.<br class=""> Visit this group at <a href="https://groups.google.com/group/cp2k" class="">https://groups.google.com/group/cp2k</a>.<br class=""> For more options, visit <a href="https://groups.google.com/d/optout" class="">https://groups.google.com/d/optout</a>.<br class=""> </div></blockquote></div><br class=""></div></div></body></html>