Task 38686829
| Name | test_988-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND6141_0 |
| Workunit | 31628239 |
| Created | 28 Oct 2026, 4:35:52 UTC |
| Sent | 28 Oct 2026, 4:35:55 UTC |
| Report deadline | 2 Nov 2026, 4:35:55 UTC |
| Received | 28 Oct 2026, 7:09:53 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 645421 |
| Run time | 2 hours 33 min 4 sec |
| CPU time | 2 hours 28 min 18 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 1,390.04 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 671.27 MB |
| Peak swap size | 5.18 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:35:32 (12764): wrapper (7.9.26016): starting
21:35:32 (12764): 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
21:35:35 (12764): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:35:35 (12764): 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\12\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\12\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
00:07:18 (12764): C:/Windows/system32/cmd.exe exited; CPU time 8898.921875
00:07:18 (12764): 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: 164419407 bytes.
Dumping objects ->
{3835203} normal block at 0x000001CE0237C3B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835192} normal block at 0x000001CE00644590, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835181} normal block at 0x000001CE006444B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835170} normal block at 0x000001CE00644440, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835159} normal block at 0x000001CE006446E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835128} normal block at 0x000001CE023C55B0, 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) : {3835115} normal block at 0x000001CE006401A0, 8 bytes long.
Data: < Ì Î > 00 00 CC 00 CE 01 00 00
{3833963} normal block at 0x000001CE0063F430, 8 bytes long.
Data: < 6B Î > 80 36 42 02 CE 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001CE006410C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001CE006365D0, 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 0x000001CE00645880, 16 bytes long.
Data: <(Sd Î > 28 53 64 00 CE 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001CE00645650, 16 bytes long.
Data: < Sd Î > 00 53 64 00 CE 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001CE0063F260, 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 0x000001CE00646230, 16 bytes long.
Data: <ØRd Î > D8 52 64 00 CE 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001CE006455B0, 16 bytes long.
Data: <°Rd Î > B0 52 64 00 CE 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001CE00645F10, 16 bytes long.
Data: < Rd Î > 88 52 64 00 CE 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001CE00645AB0, 16 bytes long.
Data: <`Rd Î > 60 52 64 00 CE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001CE00644520, 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 0x000001CE00645560, 16 bytes long.
Data: <8Žc Î > 38 8E 63 00 CE 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001CE0063E660, 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 0x000001CE00645EC0, 16 bytes long.
Data: < Žc Î > 10 8E 63 00 CE 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001CE00645510, 16 bytes long.
Data: <è c Î > E8 8D 63 00 CE 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001CE00645E70, 16 bytes long.
Data: <À c Î > C0 8D 63 00 CE 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001CE00646190, 16 bytes long.
Data: < c Î > 98 8D 63 00 CE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CE006456F0, 16 bytes long.
Data: <p c Î > 70 8D 63 00 CE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CE00646320, 16 bytes long.
Data: <H c Î > 48 8D 63 00 CE 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CE0063F1A0, 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 0x000001CE006460F0, 16 bytes long.
Data: < c Î > 20 8D 63 00 CE 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001CE00638D20, 320 bytes long.
Data: <ð`d Î  ñc Î > F0 60 64 00 CE 01 00 00 A0 F1 63 00 CE 01 00 00
{277} normal block at 0x000001CE006454C0, 16 bytes long.
Data: <@Rd Î > 40 52 64 00 CE 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001CE00645E20, 16 bytes long.
Data: < Rd Î > 18 52 64 00 CE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001CE0063E9C0, 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 0x000001CE00645740, 16 bytes long.
Data: <ðQd Î > F0 51 64 00 CE 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001CE0063E420, 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 0x000001CE00645600, 16 bytes long.
Data: <8Qd Î > 38 51 64 00 CE 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001CE00645DD0, 16 bytes long.
Data: < Qd Î > 10 51 64 00 CE 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001CE00645A60, 16 bytes long.
Data: <èPd Î > E8 50 64 00 CE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001CE00645470, 16 bytes long.
Data: <ÀPd Î > C0 50 64 00 CE 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001CE00645D80, 16 bytes long.
Data: < Pd Î > 98 50 64 00 CE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001CE0063FBB0, 16 bytes long.
Data: <pPd Î > 70 50 64 00 CE 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001CE0063FB10, 16 bytes long.
Data: <ðId Î > F0 49 64 00 CE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001CE006449F0, 40 bytes long.
Data: < ûc Î °U< Î > 10 FB 63 00 CE 01 00 00 B0 55 3C 02 CE 01 00 00
{263} normal block at 0x000001CE0063FA70, 16 bytes long.
Data: <PPd Î > 50 50 64 00 CE 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001CE0063F980, 16 bytes long.
Data: <(Pd Î > 28 50 64 00 CE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001CE0063EBA0, 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 0x000001CE0063F840, 16 bytes long.
Data: < Pd Î > 00 50 64 00 CE 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001CE00645000, 992 bytes long.
Data: <@øc Î  ëc Î > 40 F8 63 00 CE 01 00 00 A0 EB 63 00 CE 01 00 00
{95} normal block at 0x000001CE0063E480, 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 0x000001CE00640060, 16 bytes long.
Data: <°Òb Î > B0 D2 62 00 CE 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001CE0062D2B0, 40 bytes long.
Data: <` d Î äc Î > 60 00 64 00 CE 01 00 00 80 E4 63 00 CE 01 00 00
{72} normal block at 0x000001CE00640010, 16 bytes long.
Data: < ê t÷ > 80 EA 12 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001CE0063FC00, 16 bytes long.
Data: <@é t÷ > 40 E9 12 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001CE00640290, 16 bytes long.
Data: <øW t÷ > F8 57 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001CE0063FAC0, 16 bytes long.
Data: <ØW t÷ > D8 57 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001CE0063F610, 16 bytes long.
Data: <P t÷ > 50 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001CE0063FCF0, 16 bytes long.
Data: <0 t÷ > 30 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001CE006402E0, 16 bytes long.
Data: <à t÷ > E0 02 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001CE0063F750, 16 bytes long.
Data: < t÷ > 10 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001CE0063FFC0, 16 bytes long.
Data: <p t÷ > 70 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001CE0063F7F0, 16 bytes long.
Data: < À t÷ > 18 C0 0D 74 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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