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<p>Dear developers and users,</p>
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<p><br>
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<p>I got the following error: <br>
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<div><br>
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<div><u><span style="color: rgb(255, 0, 0);">"mcscfls" file</span></u><br>
<span>----------------------------------------------------------------------------------//------------------------------------------------//-----------------------------------</span><br>
</div>
<div>*** Starting integral transformation ***<br>
<br>
module tranlib input parameters:<br>
<br>
prnopt = 1, chkopt = 0,ortopt = 0, denopt = 0<br>
mapin(1 ) = 1, nsymao = 1, naopsy(1) = 464, freeze(1) = 1<br>
mapout(1) = 1, nsymmo = -1, nmopsy(1) = -1, fsplit = 1<br>
outlab = 0, seward = 0, lumorb = 0, DALTON2 = 0<br>
nextint = 2<br>
LDAMIN = 127, LDAMAX =107711, LDAINC = 64<br>
LRC1MX = -1, LRC2MX = -1, LRCSCR = 65000<br>
<br>
THRESH = 5.0000E-12 [cutoff threshold]<br>
<br>
module tranlib: workspace lcore=1309673494<br>
<br>
inoutp: segmentation information:<br>
in-core transformation space, avcinc =1308864214<br>
address segment size, sizesg =1308538520<br>
number of in-core blocks, nincbk = 0<br>
number of out-of-core blocks, noutbk = 1<br>
number of in-core segments, incseg = 0<br>
number of out-of-core segments, outseg = 9<br>
- Transformation proceeds out of core!<br>
*** If possible, increase the amount of core memory. ***<br>
bummer (fatal):writda: i/o error, (ioerr*100+unit)=2533<br>
"mcscfls" 229L, 8477C <br>
</div>
----------------------------------------------------------------------------------//------------------------------------------------//-----------------------------------<br>
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<p><u><span style="color: rgb(255, 0, 0);">"runc.error</span><span style="color: rgb(255, 0, 0);">" file</span></u><br>
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<div>end of hernew<br>
IGNORING BNDCHK<br>
*** End of DALTON calculation ***<br>
end of mcdrt<br>
end of mcuft<br>
# records (trda3s)= 118668<br>
predicted trda3s size: ********** 118668<br>
calling trouta<br>
total number of buckets = 3<br>
Reading bucket # 1 1 1<br>
forrtl: No space left on device<br>
forrtl: severe (38): error during write, unit 99, file /state/partition1/fbelarmino/34154.lmmrq.quimica.ufpb.br/WORK/bummer<br>
Image PC Routine Line Source<br>
mcscf.x 000000000058A299 Unknown Unknown Unknown<br>
mcscf.x 00000000005F40CE Unknown Unknown Unknown<br>
mcscf.x 00000000005EF307 Unknown Unknown Unknown<br>
mcscf.x 000000000056FD06 Unknown Unknown Unknown<br>
mcscf.x 0000000000560688 Unknown Unknown Unknown<br>
mcscf.x 0000000000433D77 Unknown Unknown Unknown<br>
mcscf.x 0000000000431C6F Unknown Unknown Unknown<br>
mcscf.x 00000000004300B9 Unknown Unknown Unknown<br>
mcscf.x 000000000040F518 Unknown Unknown Unknown<br>
mcscf.x 0000000000407787 Unknown Unknown Unknown<br>
mcscf.x 000000000045C864 Unknown Unknown Unknown<br>
mcscf.x 0000000000454427 Unknown Unknown Unknown<br>
mcscf.x 000000000044D8D3 Unknown Unknown Unknown<br>
mcscf.x 00000000004042DE Unknown Unknown Unknown<br>
libc.so.6 0000003BAEE1ED1D Unknown Unknown Unknown<br>
mcscf.x 00000000004041E9 Unknown Unknown Unknown<br>
<br>
</div>
<span>----------------------------------------------------------------------------------//------------------------------------------------//-----------------------------------</span><br>
<p></p>
<p><br>
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<p><u><span style="color: rgb(255, 0, 0);">"runls</span><span style="color: rgb(255, 0, 0);">" file</span></u><br>
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<div>Nuclear repulsion energy: 315.6575489177<br>
<br>
Irred. repr. : A<br>
# orbitals : 464<br>
---------------------------------------------------<br>
>>>>>>>>>>>>> info: preparing drt no 1 out of 1 <<<<<<<br>
starting mcdrt.x -m 40000 < mcdrtin > mcdrtls at Wed Nov 1 11:19:37 BRT 2017<br>
<br>
-------------------- mcdrt.x ------------------------<br>
Spin multiplicity: singlet<br>
Spatial symmetry (#): 1<br>
Number of Configurations: 20<br>
---------------------------------------------------<br>
starting mcuft.x at Wed Nov 1 11:19:37 BRT 2017<br>
<br>
-------------------- mcuft.x ------------------------<br>
---------------------------------------------------</div>
<div>++++++++++++++++++++ MCSCF calculation +++++++++++++++<br>
</div>
<p></p>
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<div>info: taking mocoef file from /state/partition1/fbelarmino/34154.lmmrq.quimica.ufpb.br/mocoef<br>
starting mcscf.x -m 40000 at Wed Nov 1 11:19:38 BRT 2017<br>
<br>
current reclen= 107711<br>
opened reclen= 107711<br>
recnum= 53392<br>
<br>
*** Error occured! ***<br>
<br>
mcscf.x 0000000000431C6F Unknown Unknown Unknown<br>
mcscf.x 00000000004300B9 Unknown Unknown Unknown<br>
mcscf.x 000000000040F518 Unknown Unknown Unknown<br>
mcscf.x 0000000000407787 Unknown Unknown Unknown<br>
mcscf.x 000000000045C864 Unknown Unknown Unknown<br>
mcscf.x 0000000000454427 Unknown Unknown Unknown<br>
mcscf.x 000000000044D8D3 Unknown Unknown Unknown<br>
mcscf.x 00000000004042DE Unknown Unknown Unknown<br>
libc.so.6 0000003BAEE1ED1D Unknown Unknown Unknown<br>
mcscf.x 00000000004041E9 Unknown Unknown Unknown<br>
<span><br>
</span></div>
<div><span>----------------------------------------------------------------------------------//------------------------------------------------//-----------------------------------</span><br>
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<br>
<p></p>
<p>How can I fix it?<br>
<br>
<br>
</p>
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