Task 38669461
| Name | test_184-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND1419_0 |
| Workunit | 31611805 |
| Created | 25 Oct 2026, 14:38:49 UTC |
| Sent | 25 Oct 2026, 14:38:51 UTC |
| Report deadline | 30 Oct 2026, 14:38:51 UTC |
| Received | 25 Oct 2026, 15:37:49 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 626472 |
| Run time | 18 min 13 sec |
| CPU time | 17 min |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 60,322.35 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 767.54 MB |
| Peak swap size | 13.07 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:19:53 (5768): wrapper (7.9.26016): starting
16:19:53 (5768): 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
16:19:54 (5768): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:19:54 (5768): 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\32\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\32\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
16:37:15 (5768): C:/Windows/system32/cmd.exe exited; CPU time 1020.046875
16:37:15 (5768): 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: 26846629 bytes.
Dumping objects ->
{3835490} normal block at 0x000001F58721A970, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835479} normal block at 0x000001F58721A200, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835468} normal block at 0x000001F58721AE40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835457} normal block at 0x000001F58721A820, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835446} normal block at 0x000001F5854063F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835415} normal block at 0x000001F58720C390, 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) : {3835402} normal block at 0x000001F5853FE8F0, 8 bytes long.
Data: < <…õ > 00 00 3C 85 F5 01 00 00
{3833963} normal block at 0x000001F5853FEF30, 8 bytes long.
Data: <`U&‡õ > 60 55 26 87 F5 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001F585403050, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001F5853F81B0, 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 0x000001F5854073C0, 16 bytes long.
Data: <È @…õ > C8 7F 40 85 F5 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F585406DD0, 16 bytes long.
Data: <  @…õ > A0 7F 40 85 F5 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F5854006C0, 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 0x000001F585407A00, 16 bytes long.
Data: <x @…õ > 78 7F 40 85 F5 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F585407050, 16 bytes long.
Data: <P @…õ > 50 7F 40 85 F5 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F585407B40, 16 bytes long.
Data: <( @…õ > 28 7F 40 85 F5 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F585407000, 16 bytes long.
Data: < @…õ > 00 7F 40 85 F5 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F585406230, 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 0x000001F585407500, 16 bytes long.
Data: < ø>…õ > 98 F8 3E 85 F5 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F5854008A0, 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 0x000001F585407190, 16 bytes long.
Data: <pø>…õ > 70 F8 3E 85 F5 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F5854075A0, 16 bytes long.
Data: <Hø>…õ > 48 F8 3E 85 F5 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F585407370, 16 bytes long.
Data: < ø>…õ > 20 F8 3E 85 F5 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F5854079B0, 16 bytes long.
Data: <ø÷>…õ > F8 F7 3E 85 F5 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F585407320, 16 bytes long.
Data: <Ð÷>…õ > D0 F7 3E 85 F5 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F585407730, 16 bytes long.
Data: <¨÷>…õ > A8 F7 3E 85 F5 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F585401200, 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 0x000001F585407280, 16 bytes long.
Data: < ÷>…õ > 80 F7 3E 85 F5 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F5853EF780, 320 bytes long.
Data: < r@…õ @…õ > 80 72 40 85 F5 01 00 00 00 12 40 85 F5 01 00 00
{277} normal block at 0x000001F585407960, 16 bytes long.
Data: <à~@…õ > E0 7E 40 85 F5 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F585407AF0, 16 bytes long.
Data: <¸~@…õ > B8 7E 40 85 F5 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F5854011A0, 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 0x000001F585406FB0, 16 bytes long.
Data: < ~@…õ > 90 7E 40 85 F5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F585400D20, 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 0x000001F585407230, 16 bytes long.
Data: <Ø}@…õ > D8 7D 40 85 F5 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F585407AA0, 16 bytes long.
Data: <°}@…õ > B0 7D 40 85 F5 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F585406D80, 16 bytes long.
Data: < }@…õ > 88 7D 40 85 F5 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F585407690, 16 bytes long.
Data: <`}@…õ > 60 7D 40 85 F5 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F585407820, 16 bytes long.
Data: <8}@…õ > 38 7D 40 85 F5 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F5854072D0, 16 bytes long.
Data: < }@…õ > 10 7D 40 85 F5 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F5854074B0, 16 bytes long.
Data: < c@…õ > 80 63 40 85 F5 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F585406380, 40 bytes long.
Data: <°t@…õ Ã ‡õ > B0 74 40 85 F5 01 00 00 90 C3 20 87 F5 01 00 00
{263} normal block at 0x000001F5854075F0, 16 bytes long.
Data: <ð|@…õ > F0 7C 40 85 F5 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F5854076E0, 16 bytes long.
Data: <È|@…õ > C8 7C 40 85 F5 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F585400A80, 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 0x000001F585406E70, 16 bytes long.
Data: < |@…õ > A0 7C 40 85 F5 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F585407CA0, 992 bytes long.
Data: <pn@…õ @…õ > 70 6E 40 85 F5 01 00 00 80 0A 40 85 F5 01 00 00
{95} normal block at 0x000001F585400E40, 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 0x000001F5853FF110, 16 bytes long.
Data: <@^@…õ > 40 5E 40 85 F5 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001F585405E40, 40 bytes long.
Data: < ñ?…õ @ @…õ > 10 F1 3F 85 F5 01 00 00 40 0E 40 85 F5 01 00 00
{72} normal block at 0x000001F5853FEC60, 16 bytes long.
Data: < ê ¸ö > 80 EA 01 B8 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001F5853FED00, 16 bytes long.
Data: <@é ¸ö > 40 E9 01 B8 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F5853FF7F0, 16 bytes long.
Data: <øWþ·ö > F8 57 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F5853FF3E0, 16 bytes long.
Data: <ØWþ·ö > D8 57 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F5853FF700, 16 bytes long.
Data: <P þ·ö > 50 04 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F5853FE940, 16 bytes long.
Data: <0 þ·ö > 30 04 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F5853FF5C0, 16 bytes long.
Data: <à þ·ö > E0 02 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F5853FEEE0, 16 bytes long.
Data: < þ·ö > 10 04 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F5853FE9E0, 16 bytes long.
Data: <p þ·ö > 70 04 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F5853FECB0, 16 bytes long.
Data: < Àü·ö > 18 C0 FC B7 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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