Task 38689305
| Name | test_482-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND9971_0 |
| Workunit | 31630573 |
| Created | 28 Oct 2026, 20:02:46 UTC |
| Sent | 28 Oct 2026, 20:02:49 UTC |
| Report deadline | 2 Nov 2026, 20:02:49 UTC |
| Received | 28 Oct 2026, 20:58:50 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 613730 |
| Run time | 30 min 23 sec |
| CPU time | 22 min 54 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 58,709.55 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 743.50 MB |
| Peak swap size | 10.03 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:28:18 (32676): wrapper (7.9.26016): starting
21:28:18 (32676): 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
21:28:19 (32676): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:28:19 (32676): 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\1\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\1\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
21:57:41 (32676): C:/Windows/system32/cmd.exe exited; CPU time 1374.453125
21:57:41 (32676): 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: 36691691 bytes.
Dumping objects ->
{3835716} normal block at 0x000001A33EDAC080, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835705} normal block at 0x000001A33EDABD00, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835694} normal block at 0x000001A33EDAC010, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835683} normal block at 0x000001A33EDAB590, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835672} normal block at 0x000001A33EDAC400, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835641} normal block at 0x000001A340AB84B0, 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) : {3835628} normal block at 0x000001A33ED80220, 8 bytes long.
Data: < Ó>£ > 00 00 D3 3E A3 01 00 00
{3833972} normal block at 0x000001A33ED807C0, 8 bytes long.
Data: <ðe±@£ > F0 65 B1 40 A3 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001A33ED7AFF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001A33ED75610, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000001A33ED88FC0, 16 bytes long.
Data: <X“Ø>£ > 58 93 D8 3E A3 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001A33ED88840, 16 bytes long.
Data: <0“Ø>£ > 30 93 D8 3E A3 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001A33ED820F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000001A33ED88C00, 16 bytes long.
Data: < “Ø>£ > 08 93 D8 3E A3 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001A33ED887F0, 16 bytes long.
Data: <à’Ø>£ > E0 92 D8 3E A3 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001A33ED886B0, 16 bytes long.
Data: <¸’Ø>£ > B8 92 D8 3E A3 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001A33ED88660, 16 bytes long.
Data: < ’Ø>£ > 90 92 D8 3E A3 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001A33ED83F30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000001A33ED88A20, 16 bytes long.
Data: <XãÖ>£ > 58 E3 D6 3E A3 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001A33ED82630, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000001A33ED88200, 16 bytes long.
Data: <0ãÖ>£ > 30 E3 D6 3E A3 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001A33ED88610, 16 bytes long.
Data: < ãÖ>£ > 08 E3 D6 3E A3 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001A33ED881B0, 16 bytes long.
Data: <àâÖ>£ > E0 E2 D6 3E A3 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001A33ED88CA0, 16 bytes long.
Data: <¸âÖ>£ > B8 E2 D6 3E A3 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001A33ED88ED0, 16 bytes long.
Data: < âÖ>£ > 90 E2 D6 3E A3 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001A33ED885C0, 16 bytes long.
Data: <hâÖ>£ > 68 E2 D6 3E A3 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001A33ED81D90, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000001A33ED88160, 16 bytes long.
Data: <@âÖ>£ > 40 E2 D6 3E A3 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001A33ED6E240, 320 bytes long.
Data: <` Ø>£ Ø>£ > 60 81 D8 3E A3 01 00 00 90 1D D8 3E A3 01 00 00
{279} normal block at 0x000001A33ED88110, 16 bytes long.
Data: <p’Ø>£ > 70 92 D8 3E A3 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001A33ED88520, 16 bytes long.
Data: <H’Ø>£ > 48 92 D8 3E A3 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001A33ED82150, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000001A33ED88BB0, 16 bytes long.
Data: < ’Ø>£ > 20 92 D8 3E A3 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001A33ED81EB0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000001A33ED88750, 16 bytes long.
Data: <h‘Ø>£ > 68 91 D8 3E A3 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001A33ED883E0, 16 bytes long.
Data: <@‘Ø>£ > 40 91 D8 3E A3 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001A33ED888E0, 16 bytes long.
Data: < ‘Ø>£ > 18 91 D8 3E A3 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001A33ED88570, 16 bytes long.
Data: <ð Ø>£ > F0 90 D8 3E A3 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001A33ED88E80, 16 bytes long.
Data: <È Ø>£ > C8 90 D8 3E A3 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001A33ED88F70, 16 bytes long.
Data: <  Ø>£ > A0 90 D8 3E A3 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001A33ED887A0, 16 bytes long.
Data: < <Ø>£ > 20 3C D8 3E A3 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001A33ED83C20, 40 bytes long.
Data: < ‡Ø>£ °„«@£ > A0 87 D8 3E A3 01 00 00 B0 84 AB 40 A3 01 00 00
{265} normal block at 0x000001A33ED88CF0, 16 bytes long.
Data: < Ø>£ > 80 90 D8 3E A3 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001A33ED884D0, 16 bytes long.
Data: <X Ø>£ > 58 90 D8 3E A3 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001A33ED825D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000001A33ED88390, 16 bytes long.
Data: <0 Ø>£ > 30 90 D8 3E A3 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001A33ED89030, 992 bytes long.
Data: < Ø>£ Ð%Ø>£ > 90 83 D8 3E A3 01 00 00 D0 25 D8 3E A3 01 00 00
{97} normal block at 0x000001A33ED81FD0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000001A33ED801D0, 16 bytes long.
Data: < @Ø>£ > 10 40 D8 3E A3 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001A33ED84010, 40 bytes long.
Data: <Ð Ø>£ Ð Ø>£ > D0 01 D8 3E A3 01 00 00 D0 1F D8 3E A3 01 00 00
{74} normal block at 0x000001A33ED7FEB0, 16 bytes long.
Data: < ê2 ÷ > 80 EA 32 BD F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001A33ED80770, 16 bytes long.
Data: <@é2 ÷ > 40 E9 32 BD F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001A33ED7FFF0, 16 bytes long.
Data: <øW/ ÷ > F8 57 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001A33ED80630, 16 bytes long.
Data: <ØW/ ÷ > D8 57 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001A33ED805E0, 16 bytes long.
Data: <P / ÷ > 50 04 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001A33ED7FFA0, 16 bytes long.
Data: <0 / ÷ > 30 04 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001A33ED7FF50, 16 bytes long.
Data: <à / ÷ > E0 02 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001A33ED80C70, 16 bytes long.
Data: < / ÷ > 10 04 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001A33ED80450, 16 bytes long.
Data: <p / ÷ > 70 04 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001A33ED80590, 16 bytes long.
Data: < À- ÷ > 18 C0 2D BD F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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