repeated output entries

[sersunzo]

Dear all,

I’m a new user to CP2K. I’m trying to run some exercises repeating
some cases proposed at a tutorial I attended in Lyon this May.

When I run a MD simulation on a AMD-Opteron (2.2 GHz) cluster I
noticed that the text in output files is repeated according to the
number of processor I used.

For instance, the .ener file with 1 processor is

Step	Time[fs]	Kin.[a.u.]	…	               UsedTime[s]
0	0	0.012825602	…	0
1	0.5	0.012483648	…	15.3102
2	1	0.011524168	…	6.7489

with 2 processors

Step	Time[fs]	Kin.[a.u.]	…	               UsedTime[s]
0	0	0.012825602	…	0
1	0.5	0.012483669	…	26.1512
1	0.5	0.012483669	…	26.3826
2	1	0.011524142	…	6.7792
2	1	0.011524142	…	6.7637
…etc.

with four

Step	Time[fs]	Kin.[a.u.]	…	               UsedTime[s]
0	0	0.012825602	…	0
1	0.5	0.012483669	…	52.7459
1	0.5	0.012483669	…	53.7512
1	0.5	0.012483669	…	57.6845
1	0.5	0.012483669	…	57.689
2	1	0.011524142	…	13.4656
2	1	0.011524142	…	14.3997
2	1	0.011524142	…	13.8007
2	1	0.011524142	…	14.1252
3	1.5	0.010195152	…	17.2202
3	1.5	0.010195152	…	17.6331
3	1.5	0.010195152	…	17.1964
3	1.5	0.010195152	…	17.4447
4	2	0.008830685	…	13.4772
4	2	0.008830685	…	14.5027
4	2	0.008830685	…	14.0316
4	2	0.008830685	…	13.9997
…etc.

It looks like each processor is working by its own and the calculation
time increases with the number of processors. I supposed there is a
compilation issue (arch=Linux-x86-64-intel). I just wondering if
somebody else had this problem before.

Thank in advance
Alessio