Task 38670841
| Name | test_273-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND3008_0 |
| Workunit | 31613068 |
| Created | 25 Oct 2026, 18:42:37 UTC |
| Sent | 25 Oct 2026, 18:42:41 UTC |
| Report deadline | 30 Oct 2026, 18:42:41 UTC |
| Received | 25 Oct 2026, 19:19:22 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 607579 |
| Run time | 30 min 34 sec |
| CPU time | 28 min 51 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 21,377.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 728.04 MB |
| Peak swap size | 9.93 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:43:40 (20908): wrapper (7.9.26016): starting
19:43:40 (20908): 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
19:43:41 (20908): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:43:41 (20908): 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) : {3835481} normal block at 0x0000016DC3F3DB20, 8 bytes long.
Data: < ` m > 00 00 60 C4 6D 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x0000016DC401E5B0, 1080 bytes long.
Data: <H > 48 C7 00 00 CD CD CD CD D8 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000016DC3F41040, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
20:05:01 (19936): wrapper (7.9.26016): starting
20:05:01 (19936): 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\0\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
20:18:54 (19936): C:/Windows/system32/cmd.exe exited; CPU time 808.625000
20:18:54 (19936): 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: 19655856 bytes.
Dumping objects ->
{1911} normal block at 0x00000243591E4A60, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1900} normal block at 0x00000243591E47C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1889} normal block at 0x00000243591E46E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1878} normal block at 0x00000243591E4980, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1867} normal block at 0x00000243591E4B40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1836} normal block at 0x00000243591D0090, 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) : {1823} normal block at 0x00000243591E5B10, 8 bytes long.
Data: < YC > 00 00 17 59 43 02 00 00
{309} normal block at 0x00000243591E5890, 8 bytes long.
Data: < i YC > 00 69 1E 59 43 02 00 00
{300} normal block at 0x00000243591CECD0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x00000243591E5520, 16 bytes long.
Data: < h YC > 08 68 1E 59 43 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000243591E6470, 16 bytes long.
Data: < g YC > E0 67 1E 59 43 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000243591DEF90, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x00000243591E5840, 16 bytes long.
Data: < g YC > B8 67 1E 59 43 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000243591E5C00, 16 bytes long.
Data: < g YC > 90 67 1E 59 43 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000243591E5B60, 16 bytes long.
Data: <hg YC > 68 67 1E 59 43 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000243591E5A20, 16 bytes long.
Data: <@g YC > 40 67 1E 59 43 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000243591E4DE0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x00000243591E5750, 16 bytes long.
Data: < YC > E8 E9 1D 59 43 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000243591DF890, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x00000243591E57F0, 16 bytes long.
Data: < YC > C0 E9 1D 59 43 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000243591E5A70, 16 bytes long.
Data: < YC > 98 E9 1D 59 43 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000243591E5E80, 16 bytes long.
Data: <p YC > 70 E9 1D 59 43 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000243591E59D0, 16 bytes long.
Data: <H YC > 48 E9 1D 59 43 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000243591E5C50, 16 bytes long.
Data: < YC > 20 E9 1D 59 43 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000243591E5F70, 16 bytes long.
Data: < YC > F8 E8 1D 59 43 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000243591DF170, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x00000243591E5DE0, 16 bytes long.
Data: < YC > D0 E8 1D 59 43 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000243591DE8D0, 320 bytes long.
Data: < ] YC p YC > E0 5D 1E 59 43 02 00 00 70 F1 1D 59 43 02 00 00
{279} normal block at 0x00000243591E5D90, 16 bytes long.
Data: < g YC > 20 67 1E 59 43 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000243591E61A0, 16 bytes long.
Data: < f YC > F8 66 1E 59 43 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000243591DEC30, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x00000243591E6420, 16 bytes long.
Data: < f YC > D0 66 1E 59 43 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000243591DF530, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x00000243591E5AC0, 16 bytes long.
Data: < f YC > 18 66 1E 59 43 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000243591E62E0, 16 bytes long.
Data: < e YC > F0 65 1E 59 43 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000243591E6100, 16 bytes long.
Data: < e YC > C8 65 1E 59 43 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000243591E5700, 16 bytes long.
Data: < e YC > A0 65 1E 59 43 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000243591E5D40, 16 bytes long.
Data: <xe YC > 78 65 1E 59 43 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000243591E5E30, 16 bytes long.
Data: <Pe YC > 50 65 1E 59 43 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000243591E5F20, 16 bytes long.
Data: < H YC > A0 48 1E 59 43 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000243591E48A0, 40 bytes long.
Data: < _ YC YC > 20 5F 1E 59 43 02 00 00 90 00 1D 59 43 02 00 00
{265} normal block at 0x00000243591E5660, 16 bytes long.
Data: <0e YC > 30 65 1E 59 43 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000243591E6380, 16 bytes long.
Data: < e YC > 08 65 1E 59 43 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000243591DF9B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x00000243591E5CF0, 16 bytes long.
Data: < d YC > E0 64 1E 59 43 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000243591E64E0, 992 bytes long.
Data: < \ YC YC > F0 5C 1E 59 43 02 00 00 B0 F9 1D 59 43 02 00 00
{97} normal block at 0x00000243591DEED0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x00000243591DDBD0, 16 bytes long.
Data: <@ YC > 40 1F 1E 59 43 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x00000243591E1F40, 40 bytes long.
Data: < YC YC > D0 DB 1D 59 43 02 00 00 D0 EE 1D 59 43 02 00 00
{74} normal block at 0x00000243591DDCC0, 16 bytes long.
Data: < r > 80 EA 72 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000243591DD630, 16 bytes long.
Data: <@ r > 40 E9 72 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000243591DDC70, 16 bytes long.
Data: < Wo > F8 57 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000243591DD220, 16 bytes long.
Data: < Wo > D8 57 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000243591DD720, 16 bytes long.
Data: <P o > 50 04 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000243591DD950, 16 bytes long.
Data: <0 o > 30 04 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000243591DDC20, 16 bytes long.
Data: < o > E0 02 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000243591DD2C0, 16 bytes long.
Data: < o > 10 04 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000243591DDD10, 16 bytes long.
Data: <p o > 70 04 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000243591DD360, 16 bytes long.
Data: < m > 18 C0 6D EA F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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