Task 38677896
| Name | test_51-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND5673_0 |
| Workunit | 31619750 |
| Created | 26 Oct 2026, 15:44:12 UTC |
| Sent | 26 Oct 2026, 15:44:19 UTC |
| Report deadline | 31 Oct 2026, 15:44:19 UTC |
| Received | 26 Oct 2026, 17:55:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 609955 |
| Run time | 38 min 15 sec |
| CPU time | 30 min 26 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,590.50 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 756.25 MB |
| Peak swap size | 9.94 GB |
| Peak disk usage | 3.77 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
02:22:00 (37624): wrapper (7.9.26016): starting
02:22:00 (37624): 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
02:22:02 (37624): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:22:02 (37624): 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 'D:\BOINC\slots\20\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 'D:\BOINC\slots\20\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
02:53:09 (37624): C:/Windows/system32/cmd.exe exited; CPU time 1826.828125
02:53:09 (37624): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 35871925 bytes.
Dumping objects ->
{3835578} normal block at 0x000001421CE556E0, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835567} normal block at 0x000001421EF72470, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835556} normal block at 0x000001421EF72650, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835545} normal block at 0x000001421EF72410, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835534} normal block at 0x000001421EF722F0, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{3835503} normal block at 0x000001421CE551A0, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835492} normal block at 0x000001421CEAB900, 140 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) : {3835489} normal block at 0x000001421CE4EE30, 8 bytes long.
Data: < B > 00 00 E0 1C 42 01 00 00
{3834767} normal block at 0x000001421CEAC940, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3834069} normal block at 0x000001421CE4F510, 8 bytes long.
Data: <À? B > C0 3F F8 1E 42 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001421CE47540, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001421CE483F0, 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 0x000001421CE569F0, 16 bytes long.
Data: <Ès B > C8 73 E5 1C 42 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001421CE56450, 16 bytes long.
Data: < s B > A0 73 E5 1C 42 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001421CE519A0, 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 0x000001421CE56DB0, 16 bytes long.
Data: <xs B > 78 73 E5 1C 42 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001421CE56F90, 16 bytes long.
Data: <Ps B > 50 73 E5 1C 42 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001421CE56C20, 16 bytes long.
Data: <(s B > 28 73 E5 1C 42 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001421CE56540, 16 bytes long.
Data: < s B > 00 73 E5 1C 42 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001421CE55280, 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 0x000001421CE56270, 16 bytes long.
Data: <ؾ B > D8 BE E3 1C 42 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001421CE50E60, 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 0x000001421CE56EF0, 16 bytes long.
Data: <°¾ B > B0 BE E3 1C 42 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001421CE561D0, 16 bytes long.
Data: < ¾ B > 88 BE E3 1C 42 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001421CE56180, 16 bytes long.
Data: <`¾ B > 60 BE E3 1C 42 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001421CE56EA0, 16 bytes long.
Data: <8¾ B > 38 BE E3 1C 42 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001421CE56680, 16 bytes long.
Data: < ¾ B > 10 BE E3 1C 42 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001421CE56220, 16 bytes long.
Data: < ½ B > E8 BD E3 1C 42 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001421CE514C0, 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 0x000001421CE564F0, 16 bytes long.
Data: <À½ B > C0 BD E3 1C 42 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001421CE3BDC0, 320 bytes long.
Data: < d B À B > F0 64 E5 1C 42 01 00 00 C0 14 E5 1C 42 01 00 00
{279} normal block at 0x000001421CE56B80, 16 bytes long.
Data: < r B > E0 72 E5 1C 42 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001421CE56B30, 16 bytes long.
Data: <¸r B > B8 72 E5 1C 42 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001421CE513A0, 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 0x000001421CE57030, 16 bytes long.
Data: < r B > 90 72 E5 1C 42 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001421CE51040, 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 0x000001421CE56E50, 16 bytes long.
Data: <Øq B > D8 71 E5 1C 42 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001421CE56CC0, 16 bytes long.
Data: <°q B > B0 71 E5 1C 42 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001421CE56BD0, 16 bytes long.
Data: < q B > 88 71 E5 1C 42 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001421CE56F40, 16 bytes long.
Data: <`q B > 60 71 E5 1C 42 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001421CE56C70, 16 bytes long.
Data: <8q B > 38 71 E5 1C 42 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001421CE564A0, 16 bytes long.
Data: < q B > 10 71 E5 1C 42 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001421CE563B0, 16 bytes long.
Data: <°T B > B0 54 E5 1C 42 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001421CE554B0, 40 bytes long.
Data: <°c B Q B > B0 63 E5 1C 42 01 00 00 A0 51 E5 1C 42 01 00 00
{265} normal block at 0x000001421CE562C0, 16 bytes long.
Data: < p B > F0 70 E5 1C 42 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001421CE56D60, 16 bytes long.
Data: <Èp B > C8 70 E5 1C 42 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001421CE51940, 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 0x000001421CE56400, 16 bytes long.
Data: < p B > A0 70 E5 1C 42 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001421CE570A0, 992 bytes long.
Data: < d B @ B > 00 64 E5 1C 42 01 00 00 40 19 E5 1C 42 01 00 00
{97} normal block at 0x000001421CE515E0, 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 0x000001421CE4EE80, 16 bytes long.
Data: <P B > 50 F3 E3 1C 42 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001421CE3F350, 40 bytes long.
Data: < B B > 80 EE E4 1C 42 01 00 00 E0 15 E5 1C 42 01 00 00
{72} normal block at 0x000001421CE4F6A0, 16 bytes long.
Data: < × > 80 EA 94 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001421CE4F1A0, 16 bytes long.
Data: <@ × > 40 E9 94 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001421CE4ECF0, 16 bytes long.
Data: < W × > F8 57 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001421CE4EA20, 16 bytes long.
Data: <ØW × > D8 57 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001421CE4F4C0, 16 bytes long.
Data: <P × > 50 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001421CE4F470, 16 bytes long.
Data: <0 × > 30 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001421CE4F290, 16 bytes long.
Data: < × > E0 02 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001421CE4EED0, 16 bytes long.
Data: < × > 10 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001421CE4F060, 16 bytes long.
Data: <p × > 70 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001421CE4F880, 16 bytes long.
Data: < À × > 18 C0 8F D7 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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