<html><head><meta http-equiv="Content-Type" content="text/html; charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo; background-color: rgb(254, 244, 139);" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Number of FAILED tests 0</span></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo; background-color: rgb(254, 244, 139);" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Number of WRONG tests 1</span></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo; background-color: rgb(254, 244, 139);" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Number of CORRECT tests 3053</span></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo; background-color: rgb(254, 244, 139);" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Number of NEW tests 19</span></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo; background-color: rgb(254, 244, 139);" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Total number of tests 3073</span></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo; background-color: rgb(254, 244, 139);" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">GREPME 0 1 3053 19 3073 X</span></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo; background-color: rgb(254, 244, 139);" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">--------------------------------------------------------------------------</span></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo; background-color: rgb(254, 244, 139);" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Regtest took 1423.00 seconds.</span></div><div class=""><span style="font-variant-ligatures: no-common-ligatures" class=""><br class=""></span></div><div class=""><span style="font-variant-ligatures: no-common-ligatures" class=""><br class=""></span></div><div class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Failed test is: </span></div><div class=""><span style="font-variant-ligatures: no-common-ligatures" class=""><br class=""></span></div><div class=""><span style="font-variant-ligatures: no-common-ligatures" class=""><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo; background-color: rgb(254, 244, 139);" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Fist/regtest-1-4/water_atprop_ewald.inp.out : </span></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo; background-color: rgb(254, 244, 139);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> POTENTIAL ENERGY : ref = 0.375664704477E-02 new = 0.375664704476E-02 </span></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo; background-color: rgb(254, 244, 139);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> relative error : 2.66189859e-12 > numerical tolerance = 1.0E-14 </span></div><div class=""><span style="font-variant-ligatures: no-common-ligatures" class=""><br class=""></span></div><div class=""><span style="font-variant-ligatures: no-common-ligatures" class=""><br class=""></span></div><div class=""><span style="font-variant-ligatures: no-common-ligatures" class="">May I regard this as satisfying, or do I need to do anything about the compilation/code?</span></div><div class=""><span style="font-variant-ligatures: no-common-ligatures" class=""><br class=""></span></div><div class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Note that I get no errors for popt and O2 flag, with intel compiler 2017.0.4.</span></div><div class=""><span style="font-variant-ligatures: no-common-ligatures" class=""><br class=""></span></div><div class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Regards</span></div><div class=""><span style="font-variant-ligatures: no-common-ligatures" class=""><br class=""></span></div><div class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Et.</span></div></span></div></body></html>