Task 38675059
| Name | test_937-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND8160_0 |
| Workunit | 31617057 |
| Created | 26 Oct 2026, 7:08:00 UTC |
| Sent | 26 Oct 2026, 7:08:05 UTC |
| Report deadline | 31 Oct 2026, 7:08:05 UTC |
| Received | 26 Oct 2026, 8:25:27 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 635377 |
| Run time | 1 hours 9 min 28 sec |
| CPU time | 1 hours 6 min 22 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,492.58 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 707.28 MB |
| Peak swap size | 6.90 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:09:39 (10340): wrapper (7.9.26016): starting
08:09:39 (10340): 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
08:09:40 (10340): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:09:40 (10340): 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\10\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\10\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) : {3835549} normal block at 0x000001E2CF48FC40, 8 bytes long.
Data: < > 00 00 8F CF E2 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x000001E2CF4BA640, 1080 bytes long.
Data: <0l L > 30 6C 00 00 CD CD CD CD 4C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001E2CF491B50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
08:19:15 (21484): wrapper (7.9.26016): starting
08:19:15 (21484): 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\10\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
09:24:55 (21484): C:/Windows/system32/cmd.exe exited; CPU time 3863.890625
09:24:55 (21484): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 bytes in 8 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: 59660821 bytes.
Dumping objects ->
{1980} normal block at 0x00000172E6B164F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1969} normal block at 0x00000172E6B166B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1958} normal block at 0x00000172E6B16330, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1947} normal block at 0x00000172E6B162C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1936} normal block at 0x00000172E6B16250, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1905} normal block at 0x00000172E6AFE8C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1894} normal block at 0x00000172E6B0BAF0, 200 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1891} normal block at 0x00000172E6B173B0, 8 bytes long.
Data: < X r > 00 00 58 E8 72 01 00 00
{1087} normal block at 0x00000172E6B0CAE0, 200 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{309} normal block at 0x00000172E6B17130, 8 bytes long.
Data: <` r > 60 80 B1 E6 72 01 00 00
{300} normal block at 0x00000172E6B07110, 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 0x00000172E6B16DC0, 16 bytes long.
Data: <h r > 68 7F B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000172E6B17090, 16 bytes long.
Data: <@ r > 40 7F B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000172E6B10780, 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 0x00000172E6B170E0, 16 bytes long.
Data: < r > 18 7F B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000172E6B16CD0, 16 bytes long.
Data: < ~ r > F0 7E B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000172E6B17770, 16 bytes long.
Data: < ~ r > C8 7E B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000172E6B17A40, 16 bytes long.
Data: < ~ r > A0 7E B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000172E6B163A0, 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 0x00000172E6B171D0, 16 bytes long.
Data: <hi r > 68 69 B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000172E6B10C00, 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 0x00000172E6B16F50, 16 bytes long.
Data: <@i r > 40 69 B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000172E6B16D20, 16 bytes long.
Data: < i r > 18 69 B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000172E6B17040, 16 bytes long.
Data: < h r > F0 68 B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000172E6B17360, 16 bytes long.
Data: < h r > C8 68 B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000172E6B16C80, 16 bytes long.
Data: < h r > A0 68 B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000172E6B16FF0, 16 bytes long.
Data: <xh r > 78 68 B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000172E6B10D20, 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 0x00000172E6B17B80, 16 bytes long.
Data: <Ph r > 50 68 B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000172E6B16850, 320 bytes long.
Data: < { r r > 80 7B B1 E6 72 01 00 00 20 0D B1 E6 72 01 00 00
{279} normal block at 0x00000172E6B17900, 16 bytes long.
Data: < ~ r > 80 7E B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000172E6B16D70, 16 bytes long.
Data: <X~ r > 58 7E B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000172E6B107E0, 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 0x00000172E6B17680, 16 bytes long.
Data: <0~ r > 30 7E B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000172E6B10C60, 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 0x00000172E6B17860, 16 bytes long.
Data: <x} r > 78 7D B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000172E6B179F0, 16 bytes long.
Data: <P} r > 50 7D B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000172E6B17450, 16 bytes long.
Data: <(} r > 28 7D B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000172E6B17720, 16 bytes long.
Data: < } r > 00 7D B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000172E6B175E0, 16 bytes long.
Data: < | r > D8 7C B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000172E6B17A90, 16 bytes long.
Data: < | r > B0 7C B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000172E6B16EB0, 16 bytes long.
Data: < a r > E0 61 B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000172E6B161E0, 40 bytes long.
Data: < n r r > B0 6E B1 E6 72 01 00 00 C0 E8 AF E6 72 01 00 00
{265} normal block at 0x00000172E6B17B30, 16 bytes long.
Data: < | r > 90 7C B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000172E6B17310, 16 bytes long.
Data: <h| r > 68 7C B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000172E6B102A0, 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 0x00000172E6B16F00, 16 bytes long.
Data: <@| r > 40 7C B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000172E6B17C40, 992 bytes long.
Data: < o r r > 00 6F B1 E6 72 01 00 00 A0 02 B1 E6 72 01 00 00
{97} normal block at 0x00000172E6B109C0, 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 0x00000172E6B0E310, 16 bytes long.
Data: < ` r > 90 60 B1 E6 72 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x00000172E6B16090, 40 bytes long.
Data: < r r > 10 E3 B0 E6 72 01 00 00 C0 09 B1 E6 72 01 00 00
{74} normal block at 0x00000172E6B0EBD0, 16 bytes long.
Data: < > 80 EA 1E 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000172E6B0ED10, 16 bytes long.
Data: <@ > 40 E9 1E 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000172E6B0EEF0, 16 bytes long.
Data: < W > F8 57 1B 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000172E6B0EEA0, 16 bytes long.
Data: < W > D8 57 1B 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000172E6B0EA40, 16 bytes long.
Data: <P > 50 04 1B 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000172E6B0E4F0, 16 bytes long.
Data: <0 > 30 04 1B 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000172E6B0EE50, 16 bytes long.
Data: < > E0 02 1B 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000172E6B0ECC0, 16 bytes long.
Data: < > 10 04 1B 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000172E6B0EB80, 16 bytes long.
Data: <p > 70 04 1B 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000172E6B0E860, 16 bytes long.
Data: < > 18 C0 19 96 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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