Task 38682180
| Name | test_851-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND7593_0 |
| Workunit | 31623810 |
| Created | 27 Oct 2026, 6:51:26 UTC |
| Sent | 27 Oct 2026, 6:51:28 UTC |
| Report deadline | 1 Nov 2026, 6:51:28 UTC |
| Received | 27 Oct 2026, 8:36:30 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 590723 |
| Run time | 51 min 53 sec |
| CPU time | 47 min 50 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 | 722.87 MB |
| Peak swap size | 8.37 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:45:15 (1716): wrapper (7.9.26016): starting
02:45:15 (1716): 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
02:45:16 (1716): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:45:16 (1716): 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.
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
03:36:11 (1716): C:/Windows/system32/cmd.exe exited; CPU time 2870.906250
03:36:11 (1716): 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: 47501023 bytes.
Dumping objects ->
{3835508} normal block at 0x000002E669ED62E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835497} normal block at 0x000002E669ED6120, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835486} normal block at 0x000002E669ED5EF0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835475} normal block at 0x000002E669ED6350, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835464} normal block at 0x000002E669ED60B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835433} normal block at 0x000002E66BCF9A20, 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) : {3835420} normal block at 0x000002E669ECFB50, 8 bytes long.
Data: < Qjæ > 00 00 51 6A E6 02 00 00
{3833967} normal block at 0x000002E669ECF6A0, 8 bytes long.
Data: <àLØkæ > E0 4C D8 6B E6 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002E669EC7C30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002E669EC8050, 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 0x000002E669ED6FF0, 16 bytes long.
Data: <¨{íiæ > A8 7B ED 69 E6 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002E669ED70E0, 16 bytes long.
Data: < {íiæ > 80 7B ED 69 E6 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002E669ED18A0, 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 0x000002E669ED74A0, 16 bytes long.
Data: <X{íiæ > 58 7B ED 69 E6 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002E669ED6B40, 16 bytes long.
Data: <0{íiæ > 30 7B ED 69 E6 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002E669ED69B0, 16 bytes long.
Data: < {íiæ > 08 7B ED 69 E6 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002E669ED72C0, 16 bytes long.
Data: <àzíiæ > E0 7A ED 69 E6 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002E669ED64A0, 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 0x000002E669ED7180, 16 bytes long.
Data: < ôëiæ > 18 F4 EB 69 E6 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002E669ED10C0, 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 0x000002E669ED6960, 16 bytes long.
Data: <ðóëiæ > F0 F3 EB 69 E6 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002E669ED6910, 16 bytes long.
Data: <Èóëiæ > C8 F3 EB 69 E6 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002E669ED6AA0, 16 bytes long.
Data: < óëiæ > A0 F3 EB 69 E6 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002E669ED7680, 16 bytes long.
Data: <xóëiæ > 78 F3 EB 69 E6 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002E669ED6A50, 16 bytes long.
Data: <Póëiæ > 50 F3 EB 69 E6 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002E669ED68C0, 16 bytes long.
Data: <(óëiæ > 28 F3 EB 69 E6 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002E669ED1360, 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 0x000002E669ED7770, 16 bytes long.
Data: < óëiæ > 00 F3 EB 69 E6 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002E669EBF300, 320 bytes long.
Data: <pwíiæ ` íiæ > 70 77 ED 69 E6 02 00 00 60 13 ED 69 E6 02 00 00
{279} normal block at 0x000002E669ED7630, 16 bytes long.
Data: <Àzíiæ > C0 7A ED 69 E6 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002E669ED6AF0, 16 bytes long.
Data: < zíiæ > 98 7A ED 69 E6 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002E669ED1EA0, 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 0x000002E669ED6CD0, 16 bytes long.
Data: <pzíiæ > 70 7A ED 69 E6 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002E669ED1AE0, 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 0x000002E669ED6C30, 16 bytes long.
Data: <¸yíiæ > B8 79 ED 69 E6 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002E669ED73B0, 16 bytes long.
Data: < yíiæ > 90 79 ED 69 E6 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002E669ED75E0, 16 bytes long.
Data: <hyíiæ > 68 79 ED 69 E6 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002E669ED7400, 16 bytes long.
Data: <@yíiæ > 40 79 ED 69 E6 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002E669ED7040, 16 bytes long.
Data: < yíiæ > 18 79 ED 69 E6 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002E669ED6F00, 16 bytes long.
Data: <ðxíiæ > F0 78 ED 69 E6 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002E669ED6BE0, 16 bytes long.
Data: < aíiæ > 90 61 ED 69 E6 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002E669ED6190, 40 bytes long.
Data: <àkíiæ šÏkæ > E0 6B ED 69 E6 02 00 00 20 9A CF 6B E6 02 00 00
{265} normal block at 0x000002E669ED7360, 16 bytes long.
Data: <Ðxíiæ > D0 78 ED 69 E6 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002E669ED7590, 16 bytes long.
Data: <¨xíiæ > A8 78 ED 69 E6 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002E669ED1B40, 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 0x000002E669ED77C0, 16 bytes long.
Data: < xíiæ > 80 78 ED 69 E6 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002E669ED7880, 992 bytes long.
Data: <Àwíiæ @ íiæ > C0 77 ED 69 E6 02 00 00 40 1B ED 69 E6 02 00 00
{97} normal block at 0x000002E669ED1420, 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 0x000002E669ECFE20, 16 bytes long.
Data: <Péëiæ > 50 E9 EB 69 E6 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000002E669EBE950, 40 bytes long.
Data: < þìiæ íiæ > 20 FE EC 69 E6 02 00 00 20 14 ED 69 E6 02 00 00
{74} normal block at 0x000002E669ECF600, 16 bytes long.
Data: < ê °ö > 80 EA A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002E669ED0230, 16 bytes long.
Data: <@é °ö > 40 E9 A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002E669ECF880, 16 bytes long.
Data: <øW °ö > F8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002E669ECF7E0, 16 bytes long.
Data: <ØW °ö > D8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002E669ECF5B0, 16 bytes long.
Data: <P °ö > 50 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002E669ECFBA0, 16 bytes long.
Data: <0 °ö > 30 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002E669ED0190, 16 bytes long.
Data: <à °ö > E0 02 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002E669ECF4C0, 16 bytes long.
Data: < °ö > 10 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002E669ECF830, 16 bytes long.
Data: <p °ö > 70 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002E669ECFD80, 16 bytes long.
Data: < À›°ö > 18 C0 9B B0 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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