Task 38649155
| Name | test_833-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND1803_0 |
| Workunit | 31593823 |
| Created | 23 Oct 2026, 21:01:54 UTC |
| Sent | 24 Oct 2026, 3:50:08 UTC |
| Report deadline | 29 Oct 2026, 3:50:08 UTC |
| Received | 24 Oct 2026, 6:23:00 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646090 |
| Run time | 30 min 2 sec |
| CPU time | 26 min 51 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 20,847.14 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 698.56 MB |
| Peak swap size | 6.90 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
22:50:04 (18372): wrapper (7.9.26016): starting
22:50:04 (18372): 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
22:50:05 (18372): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:50:05 (18372): 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) : {3835123} normal block at 0x000001AD70A7E4B0, 8 bytes long.
Data: < p > 00 00 A2 70 AD 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833972} normal block at 0x000001AD72815940, 1080 bytes long.
Data: < > F0 95 00 00 CD CD CD CD F0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001AD70A82530, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
23:11:58 (6472): wrapper (7.9.26016): starting
23:11:58 (6472): 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
23:22:35 (6472): C:/Windows/system32/cmd.exe exited; CPU time 575.406250
23:22:35 (6472): 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: 13346958 bytes.
Dumping objects ->
{1550} normal block at 0x0000015C1CCC6520, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1539} normal block at 0x0000015C1CCC5E90, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1528} normal block at 0x0000015C1CCC64B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1517} normal block at 0x0000015C1CCC63D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1506} normal block at 0x0000015C1CCC6360, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1475} normal block at 0x0000015C1CCBADE0, 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) : {1462} normal block at 0x0000015C1CCC8010, 8 bytes long.
Data: < $ \ > 00 00 24 1D 5C 01 00 00
{312} normal block at 0x0000015C1CCC8740, 8 bytes long.
Data: < r \ > B0 72 CC 1C 5C 01 00 00
{303} normal block at 0x0000015C1CCB8770, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x0000015C1CCC81F0, 16 bytes long.
Data: <x \ > 78 8B CC 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000015C1CCC8330, 16 bytes long.
Data: <P \ > 50 8B CC 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000015C1CCC1A80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x0000015C1CCC7A20, 16 bytes long.
Data: <( \ > 28 8B CC 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000015C1CCC8790, 16 bytes long.
Data: < \ > 00 8B CC 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000015C1CCC7FC0, 16 bytes long.
Data: < \ > D8 8A CC 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000015C1CCC80B0, 16 bytes long.
Data: < \ > B0 8A CC 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000015C1CCC61A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x0000015C1CCC83D0, 16 bytes long.
Data: < \ > 18 AC CB 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000015C1CCC2080, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x0000015C1CCC8600, 16 bytes long.
Data: < \ > F0 AB CB 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000015C1CCC8420, 16 bytes long.
Data: < \ > C8 AB CB 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000015C1CCC7890, 16 bytes long.
Data: < \ > A0 AB CB 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000015C1CCC84C0, 16 bytes long.
Data: <x \ > 78 AB CB 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000015C1CCC7CF0, 16 bytes long.
Data: <P \ > 50 AB CB 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000015C1CCC7980, 16 bytes long.
Data: <( \ > 28 AB CB 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000015C1CCC1C00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x0000015C1CCC7F20, 16 bytes long.
Data: < \ > 00 AB CB 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000015C1CCBAB00, 320 bytes long.
Data: < \ \ > 20 7F CC 1C 5C 01 00 00 00 1C CC 1C 5C 01 00 00
{282} normal block at 0x0000015C1CCC81A0, 16 bytes long.
Data: < \ > 90 8A CC 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000015C1CCC7930, 16 bytes long.
Data: <h \ > 68 8A CC 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000015C1CCC1960, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x0000015C1CCC7D90, 16 bytes long.
Data: <@ \ > 40 8A CC 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000015C1CCC2320, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x0000015C1CCC78E0, 16 bytes long.
Data: < \ > 88 89 CC 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000015C1CCC7BB0, 16 bytes long.
Data: <` \ > 60 89 CC 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000015C1CCC79D0, 16 bytes long.
Data: <8 \ > 38 89 CC 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000015C1CCC7CA0, 16 bytes long.
Data: < \ > 10 89 CC 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000015C1CCC8060, 16 bytes long.
Data: < \ > E8 88 CC 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000015C1CCC86F0, 16 bytes long.
Data: < \ > C0 88 CC 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000015C1CCC85B0, 16 bytes long.
Data: <@d \ > 40 64 CC 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000015C1CCC6440, 40 bytes long.
Data: < \ \ > B0 85 CC 1C 5C 01 00 00 E0 AD CB 1C 5C 01 00 00
{268} normal block at 0x0000015C1CCC7C00, 16 bytes long.
Data: < \ > A0 88 CC 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000015C1CCC7F70, 16 bytes long.
Data: <x \ > 78 88 CC 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000015C1CCC2260, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x0000015C1CCC7D40, 16 bytes long.
Data: <P \ > 50 88 CC 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000015C1CCC8850, 992 bytes long.
Data: <@} \ `" \ > 40 7D CC 1C 5C 01 00 00 60 22 CC 1C 5C 01 00 00
{100} normal block at 0x0000015C1CCC25C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x0000015C1CCBF100, 16 bytes long.
Data: < ` \ > C0 60 CC 1C 5C 01 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x0000015C1CCC60C0, 40 bytes long.
Data: < \ % \ > 00 F1 CB 1C 5C 01 00 00 C0 25 CC 1C 5C 01 00 00
{77} normal block at 0x0000015C1CCBF650, 16 bytes long.
Data: < > 80 EA BA A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000015C1CCBFC40, 16 bytes long.
Data: <@ > 40 E9 BA A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000015C1CCBFAB0, 16 bytes long.
Data: < W > F8 57 B7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000015C1CCBF560, 16 bytes long.
Data: < W > D8 57 B7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000015C1CCBFFB0, 16 bytes long.
Data: <P > 50 04 B7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000015C1CCBF600, 16 bytes long.
Data: <0 > 30 04 B7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000015C1CCBF830, 16 bytes long.
Data: < > E0 02 B7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000015C1CCBF330, 16 bytes long.
Data: < > 10 04 B7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000015C1CCBF5B0, 16 bytes long.
Data: <p > 70 04 B7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000015C1CCBF2E0, 16 bytes long.
Data: < > 18 C0 B5 A5 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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