Task 38680542
| Name | test_534-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND9413_0 |
| Workunit | 31622258 |
| Created | 27 Oct 2026, 0:20:49 UTC |
| Sent | 27 Oct 2026, 0:21:15 UTC |
| Report deadline | 1 Nov 2026, 0:21:15 UTC |
| Received | 27 Oct 2026, 3:26:32 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 623034 |
| Run time | 22 min 54 sec |
| CPU time | 21 min 50 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 44,609.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 715.55 MB |
| Peak swap size | 9.97 GB |
| Peak disk usage | 3.61 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
20:16:12 (12868): wrapper (7.9.26016): starting
20:16:12 (12868): 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
20:16:13 (12868): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:16:13 (12868): 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\24\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\24\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) : {3835117} normal block at 0x000002721923EAB0, 8 bytes long.
Data: < q r > 00 00 71 19 72 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x000002721AF956E0, 1080 bytes long.
Data: <H. > 48 2E 00 00 CD CD CD CD FC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000027219240C60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
20:59:15 (8816): wrapper (7.9.26016): starting
20:59:15 (8816): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1458} normal block at 0x00000210DBAC5D80, 8 bytes long.
Data: < > 00 00 A7 DB 10 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x00000210DBAC6530, 1080 bytes long.
Data: <0E P > 30 45 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
22:12:30 (40232): wrapper (7.9.26016): starting
22:12:30 (40232): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\24\tmp already exists.
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
22:26:10 (40232): C:/Windows/system32/cmd.exe exited; CPU time 768.937500
22:26:10 (40232): 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: 16919619 bytes.
Dumping objects ->
{1546} normal block at 0x000001730FC04950, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1535} normal block at 0x000001730FC04C60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1524} normal block at 0x000001730FC04870, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1513} normal block at 0x000001730FC04800, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1502} normal block at 0x000001730FC048E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1471} normal block at 0x000001730FBF8860, 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) : {1458} normal block at 0x000001730FC05670, 8 bytes long.
Data: < s > 00 00 BD 0F 73 01 00 00
{310} normal block at 0x000001730FC05C10, 8 bytes long.
Data: < g s > 80 67 C0 0F 73 01 00 00
{301} normal block at 0x000001730FBF5630, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x000001730FC053F0, 16 bytes long.
Data: < f s > 88 66 C0 0F 73 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001730FC06250, 16 bytes long.
Data: <`f s > 60 66 C0 0F 73 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001730FC006A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x000001730FC05B20, 16 bytes long.
Data: <8f s > 38 66 C0 0F 73 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001730FC05710, 16 bytes long.
Data: < f s > 10 66 C0 0F 73 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001730FC05DA0, 16 bytes long.
Data: < e s > E8 65 C0 0F 73 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001730FC05F80, 16 bytes long.
Data: < e s > C0 65 C0 0F 73 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001730FC04E20, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x000001730FC05F30, 16 bytes long.
Data: <( s > 28 F4 BE 0F 73 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001730FBFFF20, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x000001730FC06200, 16 bytes long.
Data: < s > 00 F4 BE 0F 73 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001730FC05850, 16 bytes long.
Data: < s > D8 F3 BE 0F 73 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001730FC062F0, 16 bytes long.
Data: < s > B0 F3 BE 0F 73 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001730FC06160, 16 bytes long.
Data: < s > 88 F3 BE 0F 73 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001730FC062A0, 16 bytes long.
Data: <` s > 60 F3 BE 0F 73 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001730FC06020, 16 bytes long.
Data: <8 s > 38 F3 BE 0F 73 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001730FC004C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x000001730FC05800, 16 bytes long.
Data: < s > 10 F3 BE 0F 73 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001730FBEF310, 320 bytes long.
Data: < X s s > 00 58 C0 0F 73 01 00 00 C0 04 C0 0F 73 01 00 00
{280} normal block at 0x000001730FC058A0, 16 bytes long.
Data: < e s > A0 65 C0 0F 73 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001730FC06110, 16 bytes long.
Data: <xe s > 78 65 C0 0F 73 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001730FC000A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x000001730FC05E40, 16 bytes long.
Data: <Pe s > 50 65 C0 0F 73 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001730FBFF9E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x000001730FC05490, 16 bytes long.
Data: < d s > 98 64 C0 0F 73 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001730FC053A0, 16 bytes long.
Data: <pd s > 70 64 C0 0F 73 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001730FC05B70, 16 bytes long.
Data: <Hd s > 48 64 C0 0F 73 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001730FC061B0, 16 bytes long.
Data: < d s > 20 64 C0 0F 73 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001730FC055D0, 16 bytes long.
Data: < c s > F8 63 C0 0F 73 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001730FC05BC0, 16 bytes long.
Data: < c s > D0 63 C0 0F 73 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001730FC057B0, 16 bytes long.
Data: <@M s > 40 4D C0 0F 73 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001730FC04D40, 40 bytes long.
Data: < W s ` s > B0 57 C0 0F 73 01 00 00 60 88 BF 0F 73 01 00 00
{266} normal block at 0x000001730FC05D00, 16 bytes long.
Data: < c s > B0 63 C0 0F 73 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001730FC060C0, 16 bytes long.
Data: < c s > 88 63 C0 0F 73 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001730FBFFCE0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x000001730FC05940, 16 bytes long.
Data: <`c s > 60 63 C0 0F 73 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001730FC06360, 992 bytes long.
Data: <@Y s s > 40 59 C0 0F 73 01 00 00 E0 FC BF 0F 73 01 00 00
{98} normal block at 0x000001730FBFFFE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x000001730FBFE8A0, 16 bytes long.
Data: < s > 00 DD BE 0F 73 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000001730FBEDD00, 40 bytes long.
Data: < s s > A0 E8 BF 0F 73 01 00 00 E0 FF BF 0F 73 01 00 00
{75} normal block at 0x000001730FBFEE90, 16 bytes long.
Data: < $# > 80 EA 24 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001730FBFEF30, 16 bytes long.
Data: <@ $# > 40 E9 24 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001730FBFEE40, 16 bytes long.
Data: < W!# > F8 57 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001730FBFF480, 16 bytes long.
Data: < W!# > D8 57 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001730FBFEDF0, 16 bytes long.
Data: <P !# > 50 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001730FBFEDA0, 16 bytes long.
Data: <0 !# > 30 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001730FBFF070, 16 bytes long.
Data: < !# > E0 02 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001730FBFF390, 16 bytes long.
Data: < !# > 10 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001730FBFEB20, 16 bytes long.
Data: <p !# > 70 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001730FBFF2F0, 16 bytes long.
Data: < # > 18 C0 1F 23 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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