Task 38672002
| Name | test_916-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND2336_0 |
| Workunit | 31614178 |
| Created | 25 Oct 2026, 22:10:32 UTC |
| Sent | 25 Oct 2026, 22:10:38 UTC |
| Report deadline | 30 Oct 2026, 22:10:38 UTC |
| Received | 26 Oct 2026, 0:37:57 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654728 |
| Run time | 1 hours 9 min 43 sec |
| CPU time | 1 hours 5 min 56 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,255.46 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 657.39 MB |
| Peak swap size | 3.70 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:12:55 (4476): wrapper (7.9.26016): starting
18:12:55 (4476): 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
18:12:56 (4476): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:12:56 (4476): 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\4\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\4\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) : {3835188} normal block at 0x0000023780F7FC60, 8 bytes long.
Data: < 7 > 00 00 F3 80 37 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x0000023782C348D0, 1080 bytes long.
Data: <h > 68 06 00 00 CD CD CD CD B8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000023780F80C70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:29:55 (10992): wrapper (7.9.26016): starting
19:29:55 (10992): 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\4\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
19:37:32 (10992): C:/Windows/system32/cmd.exe exited; CPU time 419.984375
19:37:32 (10992): 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: 5545432 bytes.
Dumping objects ->
{1623} normal block at 0x00000286B39E4A40, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1612} normal block at 0x00000286B39E4B90, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1601} normal block at 0x00000286B39E4570, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1590} normal block at 0x00000286B39E49D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1579} normal block at 0x00000286B39E47A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1548} normal block at 0x00000286B39CB580, 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) : {1535} normal block at 0x00000286B39E6120, 8 bytes long.
Data: < > 00 00 E3 B3 86 02 00 00
{304} normal block at 0x00000286B39E63A0, 8 bytes long.
Data: < g > D0 67 9E B3 86 02 00 00
{295} normal block at 0x00000286B39D5FE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x00000286B39E5A90, 16 bytes long.
Data: < V > C8 56 9E B3 86 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000286B39E5C70, 16 bytes long.
Data: < V > A0 56 9E B3 86 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000286B39DE7A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x00000286B39E6080, 16 bytes long.
Data: <xV > 78 56 9E B3 86 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000286B39E5A40, 16 bytes long.
Data: <PV > 50 56 9E B3 86 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000286B39E5C20, 16 bytes long.
Data: <(V > 28 56 9E B3 86 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000286B39E63F0, 16 bytes long.
Data: < V > 00 56 9E B3 86 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000286B39E4960, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x00000286B39E5FE0, 16 bytes long.
Data: < > 18 B5 9C B3 86 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000286B39DEAA0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x00000286B39E5BD0, 16 bytes long.
Data: < > F0 B4 9C B3 86 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000286B39E59A0, 16 bytes long.
Data: < > C8 B4 9C B3 86 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000286B39E62B0, 16 bytes long.
Data: < > A0 B4 9C B3 86 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000286B39E5EF0, 16 bytes long.
Data: <x > 78 B4 9C B3 86 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000286B39E5CC0, 16 bytes long.
Data: <P > 50 B4 9C B3 86 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000286B39E65D0, 16 bytes long.
Data: <( > 28 B4 9C B3 86 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000286B39DEE60, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{276} normal block at 0x00000286B39E5B80, 16 bytes long.
Data: < > 00 B4 9C B3 86 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000286B39CB400, 320 bytes long.
Data: < [ ` > 80 5B 9E B3 86 02 00 00 60 EE 9D B3 86 02 00 00
{274} normal block at 0x00000286B39E5860, 16 bytes long.
Data: < U > E0 55 9E B3 86 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000286B39E5B30, 16 bytes long.
Data: < U > B8 55 9E B3 86 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000286B39DE5C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x00000286B39E59F0, 16 bytes long.
Data: < U > 90 55 9E B3 86 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000286B39DF100, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x00000286B39E58B0, 16 bytes long.
Data: < T > D8 54 9E B3 86 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000286B39E6710, 16 bytes long.
Data: < T > B0 54 9E B3 86 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000286B39E5900, 16 bytes long.
Data: < T > 88 54 9E B3 86 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000286B39E6260, 16 bytes long.
Data: <`T > 60 54 9E B3 86 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000286B39DFF80, 16 bytes long.
Data: <8T > 38 54 9E B3 86 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000286B39DF620, 16 bytes long.
Data: < T > 10 54 9E B3 86 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000286B39DFF30, 16 bytes long.
Data: < H > 80 48 9E B3 86 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000286B39E4880, 40 bytes long.
Data: <0 > 30 FF 9D B3 86 02 00 00 80 B5 9C B3 86 02 00 00
{260} normal block at 0x00000286B39DFEE0, 16 bytes long.
Data: < S > F0 53 9E B3 86 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000286B39DF7B0, 16 bytes long.
Data: < S > C8 53 9E B3 86 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000286B39DF400, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x00000286B39E0110, 16 bytes long.
Data: < S > A0 53 9E B3 86 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000286B39E53A0, 992 bytes long.
Data: < > 10 01 9E B3 86 02 00 00 00 F4 9D B3 86 02 00 00
{92} normal block at 0x00000286B39DEA40, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x00000286B39DF990, 16 bytes long.
Data: <p7 > 70 37 9D B3 86 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000286B39D3770, 40 bytes long.
Data: < @ > 90 F9 9D B3 86 02 00 00 40 EA 9D B3 86 02 00 00
{69} normal block at 0x00000286B39DF5D0, 16 bytes long.
Data: < z > 80 EA 19 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000286B39DF8F0, 16 bytes long.
Data: <@ z > 40 E9 19 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000286B39DF940, 16 bytes long.
Data: < W z > F8 57 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000286B39DFCB0, 16 bytes long.
Data: < W z > D8 57 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000286B39DFFD0, 16 bytes long.
Data: <P z > 50 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000286B39DFD50, 16 bytes long.
Data: <0 z > 30 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000286B39E0430, 16 bytes long.
Data: < z > E0 02 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000286B39DFA80, 16 bytes long.
Data: < z > 10 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000286B39E00C0, 16 bytes long.
Data: <p z > 70 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000286B39E0520, 16 bytes long.
Data: < z > 18 C0 14 7A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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