Task 38679897
| Name | test_581-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND3939_0 |
| Workunit | 31621654 |
| Created | 26 Oct 2026, 22:08:15 UTC |
| Sent | 26 Oct 2026, 22:08:17 UTC |
| Report deadline | 31 Oct 2026, 22:08:17 UTC |
| Received | 26 Oct 2026, 22:40:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 639137 |
| Run time | 30 min 59 sec |
| CPU time | 28 min 21 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,451.30 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 717.32 MB |
| Peak swap size | 8.31 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
02:10:15 (16508): wrapper (7.9.26016): starting
02:10:15 (16508): 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
02:10:17 (16508): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:10:17 (16508): 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.
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
02:39:42 (16508): C:/Windows/system32/cmd.exe exited; CPU time 1701.812500
02:39:42 (16508): 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: 47695595 bytes.
Dumping objects ->
{3835387} normal block at 0x000001F6BF19D500, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835376} normal block at 0x000001F6BF19DFF0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835365} normal block at 0x000001F6BD534BB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835354} normal block at 0x000001F6BD534FA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835343} normal block at 0x000001F6BD534F30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835312} normal block at 0x000001F6BF1E7E80, 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) : {3835299} normal block at 0x000001F6BD52DDF0, 8 bytes long.
Data: < M½ö > 00 00 4D BD F6 01 00 00
{3833968} normal block at 0x000001F6BD52DAD0, 8 bytes long.
Data: <pë ¿ö > 70 EB 0A BF F6 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001F6BD530B60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001F6BD51EF50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001F6BD536060, 16 bytes long.
Data: <8jS½ö > 38 6A 53 BD F6 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F6BD536010, 16 bytes long.
Data: < jS½ö > 10 6A 53 BD F6 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F6BD5300F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001F6BD535FC0, 16 bytes long.
Data: <èiS½ö > E8 69 53 BD F6 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F6BD536100, 16 bytes long.
Data: <ÀiS½ö > C0 69 53 BD F6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F6BD535F70, 16 bytes long.
Data: < iS½ö > 98 69 53 BD F6 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F6BD535D90, 16 bytes long.
Data: <piS½ö > 70 69 53 BD F6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F6BD534DE0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001F6BD535B60, 16 bytes long.
Data: < R½ö > 18 01 52 BD F6 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F6BD530690, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001F6BD536330, 16 bytes long.
Data: <ð R½ö > F0 00 52 BD F6 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F6BD535E80, 16 bytes long.
Data: <È R½ö > C8 00 52 BD F6 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F6BD535B10, 16 bytes long.
Data: <  R½ö > A0 00 52 BD F6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F6BD535890, 16 bytes long.
Data: <x R½ö > 78 00 52 BD F6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F6BD5358E0, 16 bytes long.
Data: <P R½ö > 50 00 52 BD F6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F6BD5357A0, 16 bytes long.
Data: <( R½ö > 28 00 52 BD F6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F6BD52F9D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001F6BD535980, 16 bytes long.
Data: < R½ö > 00 00 52 BD F6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F6BD520000, 320 bytes long.
Data: < YS½ö ÐùR½ö > 80 59 53 BD F6 01 00 00 D0 F9 52 BD F6 01 00 00
{277} normal block at 0x000001F6BD535750, 16 bytes long.
Data: <PiS½ö > 50 69 53 BD F6 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F6BD536420, 16 bytes long.
Data: <(iS½ö > 28 69 53 BD F6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F6BD52FEB0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001F6BD535AC0, 16 bytes long.
Data: < iS½ö > 00 69 53 BD F6 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F6BD52FCD0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001F6BD535D40, 16 bytes long.
Data: <HhS½ö > 48 68 53 BD F6 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F6BD535840, 16 bytes long.
Data: < hS½ö > 20 68 53 BD F6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F6BD535A70, 16 bytes long.
Data: <øgS½ö > F8 67 53 BD F6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F6BD535930, 16 bytes long.
Data: <ÐgS½ö > D0 67 53 BD F6 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F6BD535BB0, 16 bytes long.
Data: <¨gS½ö > A8 67 53 BD F6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F6BD535F20, 16 bytes long.
Data: < gS½ö > 80 67 53 BD F6 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F6BD535A20, 16 bytes long.
Data: < LS½ö > 90 4C 53 BD F6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F6BD534C90, 40 bytes long.
Data: < ZS½ö ~ ¿ö > 20 5A 53 BD F6 01 00 00 80 7E 1E BF F6 01 00 00
{263} normal block at 0x000001F6BD5362E0, 16 bytes long.
Data: <`gS½ö > 60 67 53 BD F6 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F6BD535DE0, 16 bytes long.
Data: <8gS½ö > 38 67 53 BD F6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F6BD5301B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001F6BD535CA0, 16 bytes long.
Data: < gS½ö > 10 67 53 BD F6 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F6BD536710, 992 bytes long.
Data: < \S½ö ° S½ö > A0 5C 53 BD F6 01 00 00 B0 01 53 BD F6 01 00 00
{95} normal block at 0x000001F6BD52F970, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001F6BD52D3F0, 16 bytes long.
Data: < LS½ö > 20 4C 53 BD F6 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001F6BD534C20, 40 bytes long.
Data: <ðÓR½ö pùR½ö > F0 D3 52 BD F6 01 00 00 70 F9 52 BD F6 01 00 00
{72} normal block at 0x000001F6BD52DB70, 16 bytes long.
Data: < êa‰ö > 80 EA 61 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001F6BD52D9E0, 16 bytes long.
Data: <@éa‰ö > 40 E9 61 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F6BD52D800, 16 bytes long.
Data: <øW^‰ö > F8 57 5E 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F6BD52D990, 16 bytes long.
Data: <ØW^‰ö > D8 57 5E 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F6BD52D940, 16 bytes long.
Data: <P ^‰ö > 50 04 5E 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F6BD52D850, 16 bytes long.
Data: <0 ^‰ö > 30 04 5E 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F6BD52D440, 16 bytes long.
Data: <à ^‰ö > E0 02 5E 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F6BD52DDA0, 16 bytes long.
Data: < ^‰ö > 10 04 5E 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F6BD52D710, 16 bytes long.
Data: <p ^‰ö > 70 04 5E 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F6BD52D8A0, 16 bytes long.
Data: < À\‰ö > 18 C0 5C 89 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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