Task 38674670
| Name | test_856-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND1298_0 |
| Workunit | 31616699 |
| Created | 26 Oct 2026, 5:59:49 UTC |
| Sent | 26 Oct 2026, 5:59:49 UTC |
| Report deadline | 31 Oct 2026, 5:59:49 UTC |
| Received | 26 Oct 2026, 8:55:04 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 605863 |
| Run time | 1 hours 24 min 31 sec |
| CPU time | 1 hours 15 min 36 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,146.84 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 690.50 MB |
| Peak swap size | 8.35 GB |
| Peak disk usage | 3.44 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:02:08 (21644): wrapper (7.9.26016): starting
07:02:08 (21644): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
07:02:09 (21644): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:02:09 (21644): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835353} normal block at 0x0000021EBCC73570, 8 bytes long.
Data: < > 00 00 18 BD 1E 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833962} normal block at 0x0000021EBEB63C50, 1080 bytes long.
Data: < 6 > A8 36 00 00 CD CD CD CD 10 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000021EBCC6FD60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
07:46:10 (13456): wrapper (7.9.26016): starting
07:46:10 (13456): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ya existe el subdirectorio o el archivo C:\ProgramData\BOINC\slots\0\tmp.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
09:43:37 (3296): wrapper (7.9.26016): starting
09:43:37 (3296): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ya existe el subdirectorio o el archivo C:\ProgramData\BOINC\slots\0\tmp.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
09:54:34 (3296): C:/Windows/system32/cmd.exe exited; CPU time 569.437500
09:54:34 (3296): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 10100914 bytes.
Dumping objects ->
{1785} normal block at 0x0000029977434D60, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1774} normal block at 0x0000029977434F90, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1763} normal block at 0x0000029977435230, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1752} normal block at 0x0000029977434BA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1741} normal block at 0x0000029977434B30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1710} normal block at 0x000002997741CC70, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1697} normal block at 0x0000029977435F20, 8 bytes long.
Data: < w > 00 00 90 77 99 02 00 00
{307} normal block at 0x0000029977435DE0, 8 bytes long.
Data: <0pCw > 30 70 43 77 99 02 00 00
{298} normal block at 0x0000029977420820, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x00000299774364C0, 16 bytes long.
Data: <8oCw > 38 6F 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000029977436B00, 16 bytes long.
Data: < oCw > 10 6F 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002997742F740, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x0000029977436470, 16 bytes long.
Data: < nCw > E8 6E 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000029977436150, 16 bytes long.
Data: < nCw > C0 6E 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000299774363D0, 16 bytes long.
Data: < nCw > 98 6E 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000029977435D90, 16 bytes long.
Data: <pnCw > 70 6E 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000029977434C10, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000029977436380, 16 bytes long.
Data: < XCw > 08 58 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002997742FF80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000029977436650, 16 bytes long.
Data: < WCw > E0 57 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000029977435D40, 16 bytes long.
Data: < WCw > B8 57 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000299774362E0, 16 bytes long.
Data: < WCw > 90 57 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000029977436330, 16 bytes long.
Data: <hWCw > 68 57 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000029977435CA0, 16 bytes long.
Data: <@WCw > 40 57 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000029977435CF0, 16 bytes long.
Data: < WCw > 18 57 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002997742FB00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x00000299774360B0, 16 bytes long.
Data: < VCw > F0 56 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000299774356F0, 320 bytes long.
Data: < `Cw Bw > B0 60 43 77 99 02 00 00 00 FB 42 77 99 02 00 00
{277} normal block at 0x0000029977436830, 16 bytes long.
Data: <PnCw > 50 6E 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000029977436290, 16 bytes long.
Data: <(nCw > 28 6E 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002997742F800, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x00000299774367E0, 16 bytes long.
Data: < nCw > 00 6E 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000029977430220, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000029977435C50, 16 bytes long.
Data: <HmCw > 48 6D 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000029977436420, 16 bytes long.
Data: < mCw > 20 6D 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000029977436790, 16 bytes long.
Data: < lCw > F8 6C 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000029977436BA0, 16 bytes long.
Data: < lCw > D0 6C 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000029977436B50, 16 bytes long.
Data: < lCw > A8 6C 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000029977436560, 16 bytes long.
Data: < lCw > 80 6C 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000029977435ED0, 16 bytes long.
Data: <@NCw > 40 4E 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000029977434E40, 40 bytes long.
Data: < ^Cw p Aw > D0 5E 43 77 99 02 00 00 70 CC 41 77 99 02 00 00
{263} normal block at 0x0000029977436970, 16 bytes long.
Data: <`lCw > 60 6C 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000029977435E80, 16 bytes long.
Data: <8lCw > 38 6C 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002997742FDA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000029977436100, 16 bytes long.
Data: < lCw > 10 6C 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000029977436C10, 992 bytes long.
Data: < aCw Bw > 00 61 43 77 99 02 00 00 A0 FD 42 77 99 02 00 00
{95} normal block at 0x000002997742F920, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000002997742DF90, 16 bytes long.
Data: < PCw > 00 50 43 77 99 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000029977435000, 40 bytes long.
Data: < Bw Bw > 90 DF 42 77 99 02 00 00 20 F9 42 77 99 02 00 00
{72} normal block at 0x000002997742DEA0, 16 bytes long.
Data: < > 80 EA 84 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002997742DB80, 16 bytes long.
Data: <@ > 40 E9 84 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002997742E300, 16 bytes long.
Data: < W > F8 57 81 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002997742DD60, 16 bytes long.
Data: < W > D8 57 81 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002997742DB30, 16 bytes long.
Data: <P > 50 04 81 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002997742E260, 16 bytes long.
Data: <0 > 30 04 81 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002997742E580, 16 bytes long.
Data: < > E0 02 81 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002997742D720, 16 bytes long.
Data: < > 10 04 81 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002997742DF40, 16 bytes long.
Data: <p > 70 04 81 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002997742DCC0, 16 bytes long.
Data: < > 18 C0 7F B8 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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