Task 38681109
| Name | test_215-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND1937_0 |
| Workunit | 31622794 |
| Created | 27 Oct 2026, 2:39:40 UTC |
| Sent | 27 Oct 2026, 2:39:50 UTC |
| Report deadline | 1 Nov 2026, 2:39:50 UTC |
| Received | 27 Oct 2026, 3:17:05 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 644675 |
| Run time | 25 min 29 sec |
| CPU time | 20 min 50 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 56,774.19 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 752.29 MB |
| Peak swap size | 10.04 GB |
| Peak disk usage | 4.16 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
22:52:22 (30408): wrapper (7.9.26016): starting
22:52:22 (30408): 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
22:52:23 (30408): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:52:23 (30408): 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\24\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\24\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
23:16:41 (30408): C:/Windows/system32/cmd.exe exited; CPU time 1250.953125
23:16:41 (30408): 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: 39562387 bytes.
Dumping objects ->
{3835602} normal block at 0x000002300B83F7B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835591} normal block at 0x000002300B83FAC0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835580} normal block at 0x000002300B83F580, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835569} normal block at 0x0000023009A96B20, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835558} normal block at 0x0000023009A96AB0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835527} normal block at 0x000002300B88B550, 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) : {3835514} normal block at 0x0000023009A8C030, 8 bytes long.
Data: < 0 > 00 00 16 0A 30 02 00 00
{3833973} normal block at 0x0000023009A8BEA0, 8 bytes long.
Data: <0mŽ 0 > 30 6D 8E 0B 30 02 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x0000023009A927B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000023009A87D40, 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 0x0000023009A981D0, 16 bytes long.
Data: <(‰© 0 > 28 89 A9 09 30 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000023009A97960, 16 bytes long.
Data: < ‰© 0 > 00 89 A9 09 30 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000023009A90B00, 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 0x0000023009A97640, 16 bytes long.
Data: <Ø © 0 > D8 88 A9 09 30 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000023009A97EB0, 16 bytes long.
Data: <° © 0 > B0 88 A9 09 30 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000023009A98090, 16 bytes long.
Data: < © 0 > 88 88 A9 09 30 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000023009A97E60, 16 bytes long.
Data: <` © 0 > 60 88 A9 09 30 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000023009A96880, 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 0x0000023009A977D0, 16 bytes long.
Data: < ¨ 0 > 18 05 A8 09 30 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000023009A90980, 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 0x0000023009A98270, 16 bytes long.
Data: <ð ¨ 0 > F0 04 A8 09 30 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000023009A980E0, 16 bytes long.
Data: <È ¨ 0 > C8 04 A8 09 30 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000023009A97870, 16 bytes long.
Data: <  ¨ 0 > A0 04 A8 09 30 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023009A97780, 16 bytes long.
Data: <x ¨ 0 > 78 04 A8 09 30 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023009A98450, 16 bytes long.
Data: <P ¨ 0 > 50 04 A8 09 30 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000023009A97820, 16 bytes long.
Data: <( ¨ 0 > 28 04 A8 09 30 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023009A902C0, 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 0x0000023009A97A50, 16 bytes long.
Data: < ¨ 0 > 00 04 A8 09 30 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023009A80400, 320 bytes long.
Data: <Pz© 0 À © 0 > 50 7A A9 09 30 02 00 00 C0 02 A9 09 30 02 00 00
{282} normal block at 0x0000023009A97730, 16 bytes long.
Data: <@ © 0 > 40 88 A9 09 30 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023009A984A0, 16 bytes long.
Data: < © 0 > 18 88 A9 09 30 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023009A904A0, 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 0x0000023009A97E10, 16 bytes long.
Data: <ð‡© 0 > F0 87 A9 09 30 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000023009A90B60, 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 0x0000023009A976E0, 16 bytes long.
Data: <8੠0 > 38 87 A9 09 30 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000023009A98220, 16 bytes long.
Data: < ੠0 > 10 87 A9 09 30 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023009A983B0, 16 bytes long.
Data: <膩 0 > E8 86 A9 09 30 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023009A97C30, 16 bytes long.
Data: <À†© 0 > C0 86 A9 09 30 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023009A97DC0, 16 bytes long.
Data: < †© 0 > 98 86 A9 09 30 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023009A97910, 16 bytes long.
Data: <p†© 0 > 70 86 A9 09 30 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000023009A97D70, 16 bytes long.
Data: <Àf© 0 > C0 66 A9 09 30 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000023009A966C0, 40 bytes long.
Data: <p}© 0 Pµ 0 > 70 7D A9 09 30 02 00 00 50 B5 88 0B 30 02 00 00
{268} normal block at 0x0000023009A97D20, 16 bytes long.
Data: <P†© 0 > 50 86 A9 09 30 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023009A97A00, 16 bytes long.
Data: <(†© 0 > 28 86 A9 09 30 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000023009A90500, 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 0x0000023009A982C0, 16 bytes long.
Data: < †© 0 > 00 86 A9 09 30 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023009A98600, 992 bytes long.
Data: <À‚© 0 © 0 > C0 82 A9 09 30 02 00 00 00 05 A9 09 30 02 00 00
{100} normal block at 0x0000023009A909E0, 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 0x0000023009A8BF40, 16 bytes long.
Data: <0g© 0 > 30 67 A9 09 30 02 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x0000023009A96730, 40 bytes long.
Data: <@¿¨ 0 à © 0 > 40 BF A8 09 30 02 00 00 E0 09 A9 09 30 02 00 00
{77} normal block at 0x0000023009A8C8F0, 16 bytes long.
Data: < ê"U÷ > 80 EA 22 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000023009A8BB30, 16 bytes long.
Data: <@é"U÷ > 40 E9 22 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000023009A8BC20, 16 bytes long.
Data: <øW U÷ > F8 57 1F 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000023009A8C800, 16 bytes long.
Data: <ØW U÷ > D8 57 1F 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000023009A8BD10, 16 bytes long.
Data: <P U÷ > 50 04 1F 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000023009A8C710, 16 bytes long.
Data: <0 U÷ > 30 04 1F 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000023009A8BE00, 16 bytes long.
Data: <à U÷ > E0 02 1F 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000023009A8BDB0, 16 bytes long.
Data: < U÷ > 10 04 1F 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000023009A8BE50, 16 bytes long.
Data: <p U÷ > 70 04 1F 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000023009A8C940, 16 bytes long.
Data: < À U÷ > 18 C0 1D 55 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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