<div dir="ltr"><div>The test is OK, I would not bother by the wrong result.</div><div><br></div><div>Alfio</div><div><br></div><br><br>Il giorno lunedì 13 maggio 2019 14:52:14 UTC+2, Espen Tangen 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"><div style="margin:0px;font-stretch:normal;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(254,244,139)"><span>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)"><span>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)"><span>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)"><span>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)"><span>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)"><span>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)"><span>------------------------------<wbr>------------------------------<wbr>--------------</span></div><div style="margin:0px;font-stretch:normal;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(254,244,139)"><span>Regtest took 1423.00 seconds.</span></div><div><span><br></span></div><div><span><br></span></div><div><span>Failed test is: </span></div><div><span><br></span></div><div><span><div style="margin:0px;font-stretch:normal;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(254,244,139)"><span>Fist/regtest-1-4/water_atprop_<wbr>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)"><span> 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)"><span> relative error :   2.66189859e-12 >  numerical tolerance = 1.0E-14  </span></div><div><span><br></span></div><div><span><br></span></div><div><span>May I regard this as satisfying, or do I need to do anything about the compilation/code?</span></div><div><span><br></span></div><div><span>Note that I get no errors for popt and O2 flag, with intel compiler 2017.0.4.</span></div><div><span><br></span></div><div><span>Regards</span></div><div><span><br></span></div><div><span>Et.</span></div></span></div></div></blockquote></div>