Hi Moe,
Thanks for pinpointing the cause.

Please just change the macro of #if 1 to #if 0 and you will get the old
behaviour exactly like what you have program.

I have probably committed this code with the wrong macro by accident.  It is
based on a undocumented "API".  The motivation is that mzWiff can reduce it
execution time by 30-60%.  But my testing has revealed that it is very
unstable depending on the version of Analyst / AnalystQS.  As I wish to
return to it some days and thus have not removed the chunk of code from the
check in.

Sorry for causing you the problem.

Note: AnalystQS 1.1, Analyst 1.4 and Analyst 1.5 are not affected by this
"bug".

CH

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 -
>
> >
>

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