Task 38697554
| Name | test_626-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND5644_1 |
| Workunit | 31638101 |
| Created | 1 Nov 2026, 16:56:44 UTC |
| Sent | 1 Nov 2026, 16:56:49 UTC |
| Report deadline | 6 Nov 2026, 16:56:49 UTC |
| Received | 1 Nov 2026, 18:38:10 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 642858 |
| Run time | 1 hours 2 min 27 sec |
| CPU time | 59 min 50 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,947.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 674.73 MB |
| Peak swap size | 3.81 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
17:58:37 (17336): wrapper (7.9.26016): starting
17:58:37 (17336): 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
17:58:38 (17336): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:58:38 (17336): 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\9\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\9\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) : {3835107} normal block at 0x00000208CDFB0540, 8 bytes long.
Data: < I > 00 00 49 CE 08 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x00000208CFD74280, 1080 bytes long.
Data: <48 0 > 34 38 00 00 CD CD CD CD 30 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000208CDFA6720, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:05:10 (10832): wrapper (7.9.26016): starting
18:05:10 (10832): 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\9\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1453} normal block at 0x000001DF721F6350, 8 bytes long.
Data: < gr > 00 00 67 72 DF 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001DF721F69C0, 1080 bytes long.
Data: < e H > EC 65 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
18:29:02 (700): wrapper (7.9.26016): starting
18:29:02 (700): 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\9\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1453} normal block at 0x00000150E7215C70, 8 bytes long.
Data: < { P > 00 00 7B E7 50 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000150E7216740, 1080 bytes long.
Data: <t P > 74 0B 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
19:10:12 (22592): wrapper (7.9.26016): starting
19:10:12 (22592): 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\9\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
19:37:31 (22592): C:/Windows/system32/cmd.exe exited; CPU time 1580.171875
19:37:31 (22592): 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: 29131758 bytes.
Dumping objects ->
{1541} normal block at 0x0000021183F14B90, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1530} normal block at 0x0000021183F14C70, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1519} normal block at 0x0000021183F14E30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1508} normal block at 0x0000021183F14960, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1497} normal block at 0x0000021183F149D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1466} normal block at 0x0000021183EFF2C0, 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) : {1453} normal block at 0x0000021183F15CE0, 8 bytes long.
Data: < : > 00 00 3A 84 11 02 00 00
{305} normal block at 0x0000021183F15C40, 8 bytes long.
Data: <pk > 70 6B F1 83 11 02 00 00
{296} normal block at 0x0000021183F07C40, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x0000021183F15F10, 16 bytes long.
Data: <xj > 78 6A F1 83 11 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000021183F15BA0, 16 bytes long.
Data: <Pj > 50 6A F1 83 11 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000021183F10D50, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x0000021183F15FB0, 16 bytes long.
Data: <(j > 28 6A F1 83 11 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000021183F15AB0, 16 bytes long.
Data: < j > 00 6A F1 83 11 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000021183F15B50, 16 bytes long.
Data: < i > D8 69 F1 83 11 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000021183F16000, 16 bytes long.
Data: < i > B0 69 F1 83 11 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000021183F148F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x0000021183F15A10, 16 bytes long.
Data: < > D8 C9 EF 83 11 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000021183F115F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x0000021183F159C0, 16 bytes long.
Data: < > B0 C9 EF 83 11 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021183F15920, 16 bytes long.
Data: < > 88 C9 EF 83 11 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021183F158D0, 16 bytes long.
Data: <` > 60 C9 EF 83 11 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000021183F16550, 16 bytes long.
Data: <8 > 38 C9 EF 83 11 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000021183F15BF0, 16 bytes long.
Data: < > 10 C9 EF 83 11 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000021183F15C90, 16 bytes long.
Data: < > E8 C8 EF 83 11 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000021183F11170, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x0000021183F15880, 16 bytes long.
Data: < > C0 C8 EF 83 11 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021183EFC8C0, 320 bytes long.
Data: < X p > 80 58 F1 83 11 02 00 00 70 11 F1 83 11 02 00 00
{275} normal block at 0x0000021183F16230, 16 bytes long.
Data: < i > 90 69 F1 83 11 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000021183F15830, 16 bytes long.
Data: <hi > 68 69 F1 83 11 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000021183F11710, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x0000021183F15790, 16 bytes long.
Data: <@i > 40 69 F1 83 11 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021183F10C90, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x0000021183F16640, 16 bytes long.
Data: < h > 88 68 F1 83 11 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021183F15E20, 16 bytes long.
Data: <`h > 60 68 F1 83 11 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000021183F15EC0, 16 bytes long.
Data: <8h > 38 68 F1 83 11 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000021183F15B00, 16 bytes long.
Data: < h > 10 68 F1 83 11 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000021183F15A60, 16 bytes long.
Data: < g > E8 67 F1 83 11 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000021183F16690, 16 bytes long.
Data: < g > C0 67 F1 83 11 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000021183F15970, 16 bytes long.
Data: < H > 80 48 F1 83 11 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000021183F14880, 40 bytes long.
Data: <pY > 70 59 F1 83 11 02 00 00 C0 F2 EF 83 11 02 00 00
{261} normal block at 0x0000021183F166E0, 16 bytes long.
Data: < g > A0 67 F1 83 11 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000021183F15E70, 16 bytes long.
Data: <xg > 78 67 F1 83 11 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000021183F11110, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x0000021183F161E0, 16 bytes long.
Data: <Pg > 50 67 F1 83 11 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000021183F16750, 992 bytes long.
Data: < a > E0 61 F1 83 11 02 00 00 10 11 F1 83 11 02 00 00
{93} normal block at 0x0000021183F114D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x0000021183F0FF30, 16 bytes long.
Data: <@J > 40 4A F1 83 11 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000021183F14A40, 40 bytes long.
Data: <0 > 30 FF F0 83 11 02 00 00 D0 14 F1 83 11 02 00 00
{70} normal block at 0x0000021183F0F800, 16 bytes long.
Data: < > 80 EA 82 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000021183F0FA30, 16 bytes long.
Data: <@ > 40 E9 82 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000021183F0FAD0, 16 bytes long.
Data: < W > F8 57 7F 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000021183F106B0, 16 bytes long.
Data: < W > D8 57 7F 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000021183F0F850, 16 bytes long.
Data: <P > 50 04 7F 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000021183F0FC60, 16 bytes long.
Data: <0 > 30 04 7F 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000021183F100C0, 16 bytes long.
Data: < > E0 02 7F 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000021183F0FC10, 16 bytes long.
Data: < > 10 04 7F 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000021183F105C0, 16 bytes long.
Data: <p > 70 04 7F 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000021183F0F9E0, 16 bytes long.
Data: < } > 18 C0 7D 00 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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