Task 38686432
| Name | test_601-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND5039_0 |
| Workunit | 31627864 |
| Created | 28 Oct 2026, 2:28:09 UTC |
| Sent | 28 Oct 2026, 2:28:14 UTC |
| Report deadline | 2 Nov 2026, 2:28:14 UTC |
| Received | 28 Oct 2026, 2:56:45 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653191 |
| Run time | 27 min 8 sec |
| CPU time | 24 min 29 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 31,239.72 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 720.52 MB |
| Peak swap size | 6.92 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:30:29 (20444): wrapper (7.9.26016): starting
03:30:29 (20444): 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
03:30:30 (20444): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:30:30 (20444): 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\4\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\4\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
03:56:09 (20444): C:/Windows/system32/cmd.exe exited; CPU time 1469.593750
03:56:09 (20444): 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: 24992151 bytes.
Dumping objects ->
{3835601} normal block at 0x000001F691FD05A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835590} normal block at 0x000001F691FCF960, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835579} normal block at 0x000001F691FD0840, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835568} normal block at 0x000001F691FCFEA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835557} normal block at 0x000001F6902C4960, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835526} normal block at 0x000001F69204B500, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835515} normal block at 0x000001F69205EBD0, 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) : {3835512} normal block at 0x000001F6902BF070, 8 bytes long.
Data: < ~ ö > 00 00 7E 90 F6 01 00 00
{3834713} normal block at 0x000001F69205EDE0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x000001F6902BE8A0, 8 bytes long.
Data: < Y ’ö > 90 59 0D 92 F6 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001F6902C0B40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001F6902B5DE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001F6902C5C30, 16 bytes long.
Data: <hg, ö > 68 67 2C 90 F6 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F6902C60E0, 16 bytes long.
Data: <@g, ö > 40 67 2C 90 F6 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F6902C0250, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001F6902C5410, 16 bytes long.
Data: < g, ö > 18 67 2C 90 F6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F6902C6090, 16 bytes long.
Data: <ðf, ö > F0 66 2C 90 F6 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F6902C6130, 16 bytes long.
Data: <Èf, ö > C8 66 2C 90 F6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F6902C5460, 16 bytes long.
Data: < f, ö > A0 66 2C 90 F6 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F6902C49D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001F6902C52D0, 16 bytes long.
Data: < æ+ ö > 18 E6 2B 90 F6 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F6902BFA70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001F6902C5D70, 16 bytes long.
Data: <ðå+ ö > F0 E5 2B 90 F6 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F6902C5A50, 16 bytes long.
Data: <Èå+ ö > C8 E5 2B 90 F6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F6902C6040, 16 bytes long.
Data: < å+ ö > A0 E5 2B 90 F6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F6902C5BE0, 16 bytes long.
Data: <xå+ ö > 78 E5 2B 90 F6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F6902C5B40, 16 bytes long.
Data: <På+ ö > 50 E5 2B 90 F6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F6902C56E0, 16 bytes long.
Data: <(å+ ö > 28 E5 2B 90 F6 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F6902BFE90, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001F6902C59B0, 16 bytes long.
Data: < å+ ö > 00 E5 2B 90 F6 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F6902BE500, 320 bytes long.
Data: <°Y, ö þ+ ö > B0 59 2C 90 F6 01 00 00 90 FE 2B 90 F6 01 00 00
{276} normal block at 0x000001F6902C5320, 16 bytes long.
Data: < f, ö > 80 66 2C 90 F6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F6902C5F50, 16 bytes long.
Data: <Xf, ö > 58 66 2C 90 F6 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F6902C0490, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001F6902C5B90, 16 bytes long.
Data: <0f, ö > 30 66 2C 90 F6 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F6902BFA10, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001F6902C5870, 16 bytes long.
Data: <xe, ö > 78 65 2C 90 F6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F6902C53C0, 16 bytes long.
Data: <Pe, ö > 50 65 2C 90 F6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F6902C5A00, 16 bytes long.
Data: <(e, ö > 28 65 2C 90 F6 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F6902C58C0, 16 bytes long.
Data: < e, ö > 00 65 2C 90 F6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F6902C5FF0, 16 bytes long.
Data: <Ød, ö > D8 64 2C 90 F6 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F6902C5D20, 16 bytes long.
Data: <°d, ö > B0 64 2C 90 F6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F6902C5910, 16 bytes long.
Data: < K, ö > 90 4B 2C 90 F6 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F6902C4B90, 40 bytes long.
Data: < Y, ö µ ’ö > 10 59 2C 90 F6 01 00 00 00 B5 04 92 F6 01 00 00
{262} normal block at 0x000001F6902C5690, 16 bytes long.
Data: < d, ö > 90 64 2C 90 F6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F6902C57D0, 16 bytes long.
Data: <hd, ö > 68 64 2C 90 F6 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F6902BFB30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001F6902C5550, 16 bytes long.
Data: <@d, ö > 40 64 2C 90 F6 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F6902C6440, 992 bytes long.
Data: <PU, ö 0û+ ö > 50 55 2C 90 F6 01 00 00 30 FB 2B 90 F6 01 00 00
{94} normal block at 0x000001F6902C0430, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001F6902BEC60, 16 bytes long.
Data: <@J, ö > 40 4A 2C 90 F6 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001F6902C4A40, 40 bytes long.
Data: <`ì+ ö 0 , ö > 60 EC 2B 90 F6 01 00 00 30 04 2C 90 F6 01 00 00
{71} normal block at 0x000001F6902BEAD0, 16 bytes long.
Data: < êz ö > 80 EA 7A 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F6902BF5C0, 16 bytes long.
Data: <@éz ö > 40 E9 7A 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F6902BF3E0, 16 bytes long.
Data: <øWw ö > F8 57 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F6902BF570, 16 bytes long.
Data: <ØWw ö > D8 57 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F6902BF520, 16 bytes long.
Data: <P w ö > 50 04 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F6902BE7B0, 16 bytes long.
Data: <0 w ö > 30 04 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F6902BE760, 16 bytes long.
Data: <à w ö > E0 02 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F6902BEB70, 16 bytes long.
Data: < w ö > 10 04 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F6902BF250, 16 bytes long.
Data: <p w ö > 70 04 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F6902BEDF0, 16 bytes long.
Data: < Àu ö > 18 C0 75 1A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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