I posted the BSA data yesterday to pub/incoming, but I see it isn't
there. I tried uploading again but got a permission denied (overwrite)
error. So I have just uploaded agian to pub/incoming/mdharsee.

Let me know if you get it.

Thanks,
Moyez


On Mar 17, 7:04 pm, Natalie Tasman <[email protected]> wrote:
> Thank you, Moyez.  We appreciate your work!  By the way, I still
> haven't received your file for testing.
>
> Thanks,
>
> Natalie
>
>
>
> On Tue, Mar 17, 2009 at 2:38 PM, Moe <[email protected]> wrote:
>
> > The memory leak appears to be isolated in class AnalystQS20Interface,
> > method processMSSpecData, in the call to "m_ipGetRawDataSpec-
> >>GetRawScanXYPoints()" when requesting the product spectrum's entire
> > set of data points (origical code snip below).
>
> >    /*** ORIGINAL CODE FROM RELEASE 4.2.0 ***/
>
> >    inline void AnalystQS20Interface::processMSSpecData(Scan *pScan) {
> >    #if 1
> >        ...
> >        long lSpecDataPoints;
> >        ...
> >        VARIANT dXMass; VariantInit(&dXMass);
> >        VARIANT dYInts; VariantInit(&dYInts);
> >        ...
> >        HRESULT hr = m_ipGetRawDataSpec->GetRawScanXYPoints
> > (&lSpecDataPoints, &dXMass, &dYInts);
> >        ...
> >        long lPeaksCount=0;
> >        ...
> >        for (long dpi=1; dpi<=lSpecDataPoints; dpi++, pXMass++, pYInts++) {
> >                if (*pYInts>0.0) {
> >                        pScan->mzArray_[lPeaksCount] = *pXMass;
> >                        pScan->totalIonCurrent_ += 
> > (pScan->intensityArray_[lPeaksCount]
> > =*pYInts);
> >                        lPeaksCount++;
>
> >                        if (pScan->basePeakIntensity_<*pYInts) {
> >                                pScan->basePeakMZ_ = *pXMass;
> >                                pScan->basePeakIntensity_ = *pYInts;
> >                        }
> >                }
> >        }
> >        ...
>
> > It appears that the memory occupied at &dXMass and &xYInts VARIANTs
> > does not get freed even after descoping, probably because it is being
> > written externally to mzWiff by the AnalystService process. It does
> > not seem possible to free this memory internally, but I have not
> > explored all options here.
>
> > Perhaps an ultimate call to "m_ipGetRawDataSpec->Release" may induce
> > the freeing, but I suppose this would render the IGetRawData structure
> > prematurely unusable.
>
> > As a workaround, I avoid the call to GetRawScanXYPoints() altogether,
> > instead calling m_ipFMANSpecData->GetDataPointXValue() and -
> >>GetDataPointYValue() to request an individual datapoint, as per code
> > below. As this call must be made for each data point, there is a
> > performance hit. I estimated it to be about 30% longer execution time
> > for a 500 MB input, which is still reasonable for me at this time.
>
> >        /*** WORKAROUND CODE ***/
> >        ...
> >        long lSpecDataPoints = m_ipFMANSpecData->GetNumberOfDataPoints();
> >        ...
> >        double dblX, dblY;
> >        long lPeaksCount=0;
> >        for (long dpi=1; dpi<=lSpecDataPoints; dpi++) {
> >                dblX = m_ipFMANSpecData->GetDataPointXValue(dpi);
> >                dblY = m_ipFMANSpecData->GetDataPointYValue(dpi);
> >                if (dblY>0) {
> >                        pScan->mzArray_[lPeaksCount] = dblX;
> >                        pScan->intensityArray_[lPeaksCount] = dblY;
> >                        pScan->totalIonCurrent_ += dblY;
> >                        lPeaksCount++;
>
> >                        if (pScan->basePeakIntensity_ < dblY) {
> >                                pScan->basePeakMZ_ = dblX;
> >                                pScan->basePeakIntensity_ = dblY;
> >                        }
> >                }
> >        }
>
> > On Mar 16, 6:09 pm, Moe <[email protected]> wrote:
> >> I have uploaded the files bsa-20fmol-2.wiff/.scan. Although the
> >> converter doesn't crash on this file, it did reach > 300 MB memory
> >> usage in my attempt.
>
> >> Let me know if you need anything else for your debugging.
>
> >> Thanks,
> >> Moyez
>
> >> On Mar 16, 5:46 pm, Natalie Tasman <[email protected]> wrote:
>
> >> >http://groups.google.com/group/spctools-discuss/web/how-to-upload-fil...
>
> >> > On Mon, Mar 16, 2009 at 2:43 PM, Moe <[email protected]> wrote:
>
> >> > > Thanks for the VC tips. Where can I upload the BSA file?
>
> >> > > Moyez
>
> >> > > On Mar 16, 5:25 pm, Natalie Tasman <[email protected]> wrote:
> >> > >> Hi Moyez,
>
> >> > >> Of course we have our own files to test, but yes, please upload your
> >> > >> file, as we've never observed the behavior you're reporting.
>
> >> > >> And also please rerun your conversions with the "-v" (verbose) option
> >> > >> and copy and paste the output up to the "sha-1" calculation.
>
> >> > >> You're welcome to rebuild and debug the converter on your own.  Just
> >> > >> open the TPP.sln file and build the mzWiff project from there.  Note
> >> > >> you'll also need the "win_lib" project to be checked out at the same
> >> > >> level as the TPP code for boost, zlib, etc.
>
> >> > >> -Natalie
>
> >> > >> On Mon, Mar 16, 2009 at 2:07 PM, Moe <[email protected]> wrote:
>
> >> > >> > Hi Natalie,
>
> >> > >> > The leak is apparent in QStar WIFF files of any size. For a 30 
> >> > >> > minute
> >> > >> > BSA QC run (25 MB file size), peak memory usage reached 314 MB (to
> >> > >> > produce ~195 MB mzXML output), which doesn't seem reasonable. Do you
> >> > >> > have your own data files that you can debug with? If not, I can 
> >> > >> > upload
> >> > >> > the BSA run to your FTP site (need the details).
>
> >> > >> > The data I'm trying to analyze consists of 2 hour runs at about 500 
> >> > >> > MB
> >> > >> > each. mzWiff crashes about halfway through a data file, leaving a 
> >> > >> > 1.3
> >> > >> > GB (incomplete) mzXML file which ends at an elution time of about 60
> >> > >> > minutes (when memory reaches slightly > 2 GB).
>
> >> > >> > I have tried older releases of the executable up to 4.0.0 and all
> >> > >> > behave the same. I am considering recompiling a 64-bit executable, 
> >> > >> > or
> >> > >> > trying to locate the leak. I'll check out the code from SourceForge,
> >> > >> > but if you have additional instructions for setting up the VC 
> >> > >> > project,
> >> > >> > please let me know.
>
> >> > >> > Thanks,
> >> > >> > Moyez
>
> >> > >> > On Mar 16, 1:41 pm, Natalie Tasman <[email protected]> 
> >> > >> > wrote:
> >> > >> >> Hello Moyez,
>
> >> > >> >> Thank you for the detailed bug report.  I haven't heard of issues 
> >> > >> >> with
> >> > >> >> mzWiff.  Thanks for the MSVC hint-- I'm pretty sure this is not 
> >> > >> >> turned
> >> > >> >> on yet, but actually probably shouldn't be necessary.  I agree with
> >> > >> >> you that that much memory usage sounds like a memory leak.  The
> >> > >> >> converters are designed to process data scan-by-scan with a 
> >> > >> >> relatively
> >> > >> >> low memory overhead.
>
> >> > >> >> If you can upload a sample file we can take a look and see if we 
> >> > >> >> can
> >> > >> >> replicate behavior and then fix it.
>
> >> > >> >> Thanks,
>
> >> > >> >> Natalie
>
> >> > >> >> On Mon, Mar 16, 2009 at 9:11 AM, Moe <[email protected]> wrote:
>
> >> > >> >> > I'm trying to convert Analyst QStar Elite data acquired with 
> >> > >> >> > Analyst
> >> > >> >> > QS 2.0, with mzWiff version 4.2.0(build Feb 19 2009 09:48:08), on
> >> > >> >> > Windows XP Pro SP3 and Windows Server 2003 R2 x64 Standard SP2.
>
> >> > >> >> > There appears to be a memory leak causing process memory to 
> >> > >> >> > accumulate
> >> > >> >> > to > 2GB, shortly after which the program crashes with error:
>
> >> > >> >> > ERROR: COM error 80004005 while processing sample#2
> >> > >> >> > INFO: error message: Unspecified error
>
> >> > >> >> > This happens both on 32-bit XP and 64-bit Server 2003, both 
> >> > >> >> > systems
> >> > >> >> > have > 4GB physical memory. The per-process addressable limit 
> >> > >> >> > for a 32-
> >> > >> >> > bit process is 2GB unless compiled with the /LARGEADDRESSAWARE 
> >> > >> >> > Visual C
> >> > >> >> > ++ linker flag.
>
> >> > >> >> > Is anyone aware of this problem? Is this in fact a leak that can 
> >> > >> >> > be
> >> > >> >> > avoided?
>
> >> > >> >> > Thanks,
> >> > >> >> > Moyez- Hide quoted text -
>
> >> > >> >> - Show quoted text -- Hide quoted text -
>
> >> > >> - Show quoted text -- Hide quoted text -
>
> >> > - Show quoted text -- Hide quoted text -
>
> >> - Show quoted text -- Hide quoted text -
>
> - Show quoted text -

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