Task 38667683
| Name | test_119-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND3550_1 |
| Workunit | 31610269 |
| Created | 25 Oct 2026, 8:58:40 UTC |
| Sent | 25 Oct 2026, 8:58:49 UTC |
| Report deadline | 30 Oct 2026, 8:58:49 UTC |
| Received | 25 Oct 2026, 9:28:17 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641350 |
| Run time | 28 min 56 sec |
| CPU time | 27 min 40 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 19,410.98 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 724.78 MB |
| Peak swap size | 5.38 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:59:59 (19924): wrapper (7.9.26016): starting
09:59:59 (19924): 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
10:00:00 (19924): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:00:00 (19924): 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
10:27:52 (19924): C:/Windows/system32/cmd.exe exited; CPU time 1660.531250
10:27:52 (19924): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 23547233 bytes.
Dumping objects ->
{3835240} normal block at 0x00000204BEE25920, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835229} normal block at 0x00000204BEE254C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835218} normal block at 0x00000204BEE25450, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835207} normal block at 0x00000204BEE253E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835196} normal block at 0x00000204BEE25300, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835165} normal block at 0x00000204C0B964C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835154} normal block at 0x00000204C0BAFCB0, 102 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) : {3835151} normal block at 0x00000204BEE1E840, 8 bytes long.
Data: < 3¿ > 00 00 33 BF 04 02 00 00
{3834545} normal block at 0x00000204C0BAEFA0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x00000204BEE1DEE0, 8 bytes long.
Data: <ðLâ¾ > F0 4C E2 BE 04 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000204BEE21CE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000204BEE16EB0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x00000204BEE26150, 16 bytes long.
Data: < qâ¾ > 18 71 E2 BE 04 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000204BEE26100, 16 bytes long.
Data: <ðpâ¾ > F0 70 E2 BE 04 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000204BEE1F970, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x00000204BEE26CE0, 16 bytes long.
Data: <Èpâ¾ > C8 70 E2 BE 04 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000204BEE26BF0, 16 bytes long.
Data: < pâ¾ > A0 70 E2 BE 04 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000204BEE26880, 16 bytes long.
Data: <xpâ¾ > 78 70 E2 BE 04 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000204BEE26BA0, 16 bytes long.
Data: <Ppâ¾ > 50 70 E2 BE 04 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000204BEE25290, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x00000204BEE26600, 16 bytes long.
Data: <Xùྠ> 58 F9 E0 BE 04 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000204BEE20630, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x00000204BEE26920, 16 bytes long.
Data: <0ùྠ> 30 F9 E0 BE 04 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000204BEE26060, 16 bytes long.
Data: < ùྠ> 08 F9 E0 BE 04 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000204BEE25ED0, 16 bytes long.
Data: <àøྠ> E0 F8 E0 BE 04 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000204BEE25F70, 16 bytes long.
Data: <¸øྠ> B8 F8 E0 BE 04 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000204BEE26790, 16 bytes long.
Data: < øྠ> 90 F8 E0 BE 04 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000204BEE261F0, 16 bytes long.
Data: <høྠ> 68 F8 E0 BE 04 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000204BEE20390, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x00000204BEE26A60, 16 bytes long.
Data: <@øྠ> 40 F8 E0 BE 04 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000204BEE0F840, 320 bytes long.
Data: <`jâ¾ â¾ > 60 6A E2 BE 04 02 00 00 90 03 E2 BE 04 02 00 00
{276} normal block at 0x00000204BEE26560, 16 bytes long.
Data: <0pâ¾ > 30 70 E2 BE 04 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000204BEE26C90, 16 bytes long.
Data: < pâ¾ > 08 70 E2 BE 04 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000204BEE20090, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x00000204BEE26B50, 16 bytes long.
Data: <àoâ¾ > E0 6F E2 BE 04 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000204BEE1FD30, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x00000204BEE260B0, 16 bytes long.
Data: <(oâ¾ > 28 6F E2 BE 04 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000204BEE26330, 16 bytes long.
Data: < oâ¾ > 00 6F E2 BE 04 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000204BEE267E0, 16 bytes long.
Data: <Ønâ¾ > D8 6E E2 BE 04 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000204BEE264C0, 16 bytes long.
Data: <°nâ¾ > B0 6E E2 BE 04 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000204BEE26240, 16 bytes long.
Data: < nâ¾ > 88 6E E2 BE 04 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000204BEE269C0, 16 bytes long.
Data: <`nâ¾ > 60 6E E2 BE 04 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000204BEE26AB0, 16 bytes long.
Data: <`Wâ¾ > 60 57 E2 BE 04 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000204BEE25760, 40 bytes long.
Data: <°jâ¾ Àd¹À > B0 6A E2 BE 04 02 00 00 C0 64 B9 C0 04 02 00 00
{262} normal block at 0x00000204BEE26830, 16 bytes long.
Data: <@nâ¾ > 40 6E E2 BE 04 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000204BEE26B00, 16 bytes long.
Data: < nâ¾ > 18 6E E2 BE 04 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000204BEE1FE50, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x00000204BEE262E0, 16 bytes long.
Data: <ðmâ¾ > F0 6D E2 BE 04 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000204BEE26DF0, 992 bytes long.
Data: <àbâ¾ Pþá¾ > E0 62 E2 BE 04 02 00 00 50 FE E1 BE 04 02 00 00
{94} normal block at 0x00000204BEE20330, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x00000204BEE1D990, 16 bytes long.
Data: <póྠ> 70 F3 E0 BE 04 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x00000204BEE0F370, 40 bytes long.
Data: < Ùá¾ 0 â¾ > 90 D9 E1 BE 04 02 00 00 30 03 E2 BE 04 02 00 00
{71} normal block at 0x00000204BEE1E200, 16 bytes long.
Data: < ê7Gö > 80 EA 37 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000204BEE1DE40, 16 bytes long.
Data: <@é7Gö > 40 E9 37 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000204BEE1D940, 16 bytes long.
Data: <øW4Gö > F8 57 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000204BEE1E0C0, 16 bytes long.
Data: <ØW4Gö > D8 57 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000204BEE1E7A0, 16 bytes long.
Data: <P 4Gö > 50 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000204BEE1DA30, 16 bytes long.
Data: <0 4Gö > 30 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000204BEE1DE90, 16 bytes long.
Data: <à 4Gö > E0 02 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000204BEE1E750, 16 bytes long.
Data: < 4Gö > 10 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000204BEE1D8F0, 16 bytes long.
Data: <p 4Gö > 70 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000204BEE1E570, 16 bytes long.
Data: < À2Gö > 18 C0 32 47 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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