Task 38682643
| Name | test_754-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND4890_1 |
| Workunit | 31624054 |
| Created | 27 Oct 2026, 8:30:53 UTC |
| Sent | 27 Oct 2026, 8:31:03 UTC |
| Report deadline | 1 Nov 2026, 8:31:03 UTC |
| Received | 27 Oct 2026, 9:22:22 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 517637 |
| Run time | 46 min 53 sec |
| CPU time | 46 min 53 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,030.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 713.53 MB |
| Peak swap size | 9.74 GB |
| Peak disk usage | 3.11 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
09:33:34 (26132): wrapper (7.9.26016): starting
09:33:34 (26132): 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
09:33:35 (26132): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:33:35 (26132): 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\22\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\22\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
10:21:03 (26132): C:/Windows/system32/cmd.exe exited; CPU time 2813.218750
10:21:03 (26132): 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: 49423397 bytes.
Dumping objects ->
{3835363} normal block at 0x000002D49CEBADB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835352} normal block at 0x000002D49CEBB3D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835341} normal block at 0x000002D49CE949D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835330} normal block at 0x000002D49CE94FF0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835319} normal block at 0x000002D49CE94F10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835288} normal block at 0x000002D49EC664C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835277} normal block at 0x000002D49ECB8EF0, 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) : {3835274} normal block at 0x000002D49CE8F580, 8 bytes long.
Data: < 8 Ô > 00 00 38 9D D4 02 00 00
{3834606} normal block at 0x000002D49ECB8B80, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x000002D49CE8F990, 8 bytes long.
Data: <`JÏžÔ > 60 4A CF 9E D4 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002D49CE91730, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002D49CE86350, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000002D49CE96300, 16 bytes long.
Data: <ÈhéœÔ > C8 68 E9 9C D4 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002D49CE96440, 16 bytes long.
Data: < héœÔ > A0 68 E9 9C D4 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002D49CE8FFE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000002D49CE96530, 16 bytes long.
Data: <xhéœÔ > 78 68 E9 9C D4 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002D49CE95BD0, 16 bytes long.
Data: <PhéœÔ > 50 68 E9 9C D4 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002D49CE95AE0, 16 bytes long.
Data: <(héœÔ > 28 68 E9 9C D4 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002D49CE95680, 16 bytes long.
Data: < héœÔ > 00 68 E9 9C D4 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002D49CE94CE0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000002D49CE95CC0, 16 bytes long.
Data: < èèœÔ > 08 E8 E8 9C D4 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002D49CE8FCE0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000002D49CE95770, 16 bytes long.
Data: <àçèœÔ > E0 E7 E8 9C D4 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002D49CE95E00, 16 bytes long.
Data: <¸çèœÔ > B8 E7 E8 9C D4 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002D49CE95A40, 16 bytes long.
Data: < çèœÔ > 90 E7 E8 9C D4 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002D49CE95950, 16 bytes long.
Data: <hçèœÔ > 68 E7 E8 9C D4 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002D49CE958B0, 16 bytes long.
Data: <@çèœÔ > 40 E7 E8 9C D4 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002D49CE962B0, 16 bytes long.
Data: < çèœÔ > 18 E7 E8 9C D4 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002D49CE8FAA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000002D49CE95EA0, 16 bytes long.
Data: <ðæèœÔ > F0 E6 E8 9C D4 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002D49CE8E6F0, 320 bytes long.
Data: < ^éœÔ  úèœÔ > A0 5E E9 9C D4 02 00 00 A0 FA E8 9C D4 02 00 00
{278} normal block at 0x000002D49CE961C0, 16 bytes long.
Data: <àgéœÔ > E0 67 E9 9C D4 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002D49CE95860, 16 bytes long.
Data: <¸géœÔ > B8 67 E9 9C D4 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002D49CE90640, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000002D49CE95DB0, 16 bytes long.
Data: < géœÔ > 90 67 E9 9C D4 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002D49CE90400, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000002D49CE96120, 16 bytes long.
Data: <ØféœÔ > D8 66 E9 9C D4 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002D49CE95D10, 16 bytes long.
Data: <°féœÔ > B0 66 E9 9C D4 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002D49CE95C20, 16 bytes long.
Data: < féœÔ > 88 66 E9 9C D4 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002D49CE95B80, 16 bytes long.
Data: <`féœÔ > 60 66 E9 9C D4 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002D49CE95810, 16 bytes long.
Data: <8féœÔ > 38 66 E9 9C D4 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002D49CE96260, 16 bytes long.
Data: < féœÔ > 10 66 E9 9C D4 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002D49CE959A0, 16 bytes long.
Data: <@JéœÔ > 40 4A E9 9C D4 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002D49CE94A40, 40 bytes long.
Data: < YéœÔ ÀdÆžÔ > A0 59 E9 9C D4 02 00 00 C0 64 C6 9E D4 02 00 00
{264} normal block at 0x000002D49CE95C70, 16 bytes long.
Data: <ðeéœÔ > F0 65 E9 9C D4 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002D49CE960D0, 16 bytes long.
Data: <ÈeéœÔ > C8 65 E9 9C D4 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002D49CE8FC80, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000002D49CE96080, 16 bytes long.
Data: < eéœÔ > A0 65 E9 9C D4 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002D49CE965A0, 992 bytes long.
Data: < `éœÔ üèœÔ > 80 60 E9 9C D4 02 00 00 80 FC E8 9C D4 02 00 00
{96} normal block at 0x000002D49CE8FBC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000002D49CE8EDB0, 16 bytes long.
Data: <àðçœÔ > E0 F0 E7 9C D4 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000002D49CE7F0E0, 40 bytes long.
Data: <°íèœÔ ÀûèœÔ > B0 ED E8 9C D4 02 00 00 C0 FB E8 9C D4 02 00 00
{73} normal block at 0x000002D49CE8F940, 16 bytes long.
Data: < êÙ*ö > 80 EA D9 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002D49CE8ECC0, 16 bytes long.
Data: <@éÙ*ö > 40 E9 D9 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002D49CE8EE50, 16 bytes long.
Data: <øWÖ*ö > F8 57 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002D49CE8F760, 16 bytes long.
Data: <ØWÖ*ö > D8 57 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002D49CE8EC70, 16 bytes long.
Data: <P Ö*ö > 50 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002D49CE8F170, 16 bytes long.
Data: <0 Ö*ö > 30 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002D49CE8F3A0, 16 bytes long.
Data: <à Ö*ö > E0 02 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002D49CE8F210, 16 bytes long.
Data: < Ö*ö > 10 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002D49CE8F710, 16 bytes long.
Data: <p Ö*ö > 70 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002D49CE8F4E0, 16 bytes long.
Data: < ÀÔ*ö > 18 C0 D4 2A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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