<html>
<head>
<style><!--
.hmmessage P
{
margin:0px;
padding:0px
}
body.hmmessage
{
font-size: 12pt;
font-family:Calibri
}
--></style></head>
<body class='hmmessage'><div dir='ltr'><span style="color: rgb(68, 68, 68); font-size: 15px; line-height: 21.299999237060547px;">Dear all, </span><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;"><br></div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;">When I apply matdyn.x with dos=.true. and la2F=.true.,</div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;">the calculations start but then the code stops with the error (without outputting the value of lambda!)</div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;"><br></div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;">"<span style="line-height: 22.719999313354492px; font-size: 12pt;">Max |d(i,j)-d*(j,i)|/|d(i,j)|: ********%</span></div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;"> Max |d(i,j)-d*(j,i)| = 0.004615</div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;"> Max |d(i,j)-d*(j,i)|/|d(i,j)|: ********%</div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;"> Max |d(i,j)-d*(j,i)| = 0.004615</div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;"> Max |d(i,j)-d*(j,i)|/|d(i,j)|: ********%</div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;">rank 0 in job 1 veredas44_36139 caused collective abort of all ranks</div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;"> exit status of rank 0: killed by signal 9"</div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;"><br></div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;">Is that error related to the input of the matdyn file or is it due to something else?</div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;"><br></div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;">I use espresso 5.0.1 and the input of the matdyn file is:</div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;"><br></div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;"><span style="line-height: 22.719999313354492px; font-size: 12pt;">&input</span></div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;"> asr='simple',</div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;"> dos=.true.,</div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;"> la2F=.true.,</div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;"> amass(1)=12.0107,</div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;"> flfrc='elphag2ga.fc',</div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;"> flfrq='elphag2ga.freq',</div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;"> fldos='elphag2ga.phdos',</div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;"> nk1=120 nk2=120 nk3=1,</div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;"> ndos=100</div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;"> /</div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;"><br></div><div style="line-height: 21.299999237060547px; color: rgb(68, 68, 68); font-size: 15px;">Thanks in advance</div> </div></body>
</html>