Task 38662108
| Name | test_375-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND8953_1 |
| Workunit | 31605377 |
| Created | 24 Oct 2026, 17:46:44 UTC |
| Sent | 24 Oct 2026, 17:46:49 UTC |
| Report deadline | 29 Oct 2026, 17:46:49 UTC |
| Received | 24 Oct 2026, 18:58:13 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648286 |
| Run time | 24 min 23 sec |
| CPU time | 23 min 21 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 35,585.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 698.92 MB |
| Peak swap size | 7.02 GB |
| Peak disk usage | 3.11 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:48:09 (2276): wrapper (7.9.26016): starting
19:48:09 (2276): 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
19:48:11 (2276): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:48:11 (2276): 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\0\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\0\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
20:11:28 (2276): C:/Windows/system32/cmd.exe exited; CPU time 1401.671875
20:11:28 (2276): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 16409147 bytes.
Dumping objects ->
{3835261} normal block at 0x000001CCDCB48BC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835250} normal block at 0x000001CCDCB49800, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835239} normal block at 0x000001CCDCB49480, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835228} normal block at 0x000001CCDCB48A70, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835217} normal block at 0x000001CCDCB48DF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835186} normal block at 0x000001CCDE80B970, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835175} normal block at 0x000001CCDE865B90, 160 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) : {3835172} normal block at 0x000001CCDCB1EB30, 8 bytes long.
Data: < ÝÌ > 00 00 13 DD CC 01 00 00
{3834575} normal block at 0x000001CCDE865AB0, 160 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833981} normal block at 0x000001CCDCB1F620, 8 bytes long.
Data: <À>†ÞÌ > C0 3E 86 DE CC 01 00 00
..\zip\boinc_zip.cpp(122) : {322} normal block at 0x000001CCDCB21B10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x000001CCDCB16330, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{306} normal block at 0x000001CCDCB26070, 16 bytes long.
Data: <Èg²ÜÌ > C8 67 B2 DC CC 01 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x000001CCDCB25990, 16 bytes long.
Data: < g²ÜÌ > A0 67 B2 DC CC 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000001CCDCB1DC80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{303} normal block at 0x000001CCDCB25940, 16 bytes long.
Data: <xg²ÜÌ > 78 67 B2 DC CC 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001CCDCB26110, 16 bytes long.
Data: <Pg²ÜÌ > 50 67 B2 DC CC 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001CCDCB25F80, 16 bytes long.
Data: <(g²ÜÌ > 28 67 B2 DC CC 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001CCDCB25B70, 16 bytes long.
Data: < g²ÜÌ > 00 67 B2 DC CC 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001CCDCB200F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{298} normal block at 0x000001CCDCB25710, 16 bytes long.
Data: <8 ±ÜÌ > 38 01 B1 DC CC 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001CCDCB1DB00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{296} normal block at 0x000001CCDCB25670, 16 bytes long.
Data: < ±ÜÌ > 10 01 B1 DC CC 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001CCDCB25850, 16 bytes long.
Data: <è ±ÜÌ > E8 00 B1 DC CC 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001CCDCB26020, 16 bytes long.
Data: <À ±ÜÌ > C0 00 B1 DC CC 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001CCDCB256C0, 16 bytes long.
Data: < ±ÜÌ > 98 00 B1 DC CC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001CCDCB25F30, 16 bytes long.
Data: <p ±ÜÌ > 70 00 B1 DC CC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001CCDCB25DA0, 16 bytes long.
Data: <H ±ÜÌ > 48 00 B1 DC CC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CCDCB1D4A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{288} normal block at 0x000001CCDCB254E0, 16 bytes long.
Data: < ±ÜÌ > 20 00 B1 DC CC 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001CCDCB10020, 320 bytes long.
Data: <àT²ÜÌ  Ô±ÜÌ > E0 54 B2 DC CC 01 00 00 A0 D4 B1 DC CC 01 00 00
{286} normal block at 0x000001CCDCB25800, 16 bytes long.
Data: <àf²ÜÌ > E0 66 B2 DC CC 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001CCDCB25D50, 16 bytes long.
Data: <¸f²ÜÌ > B8 66 B2 DC CC 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001CCDCB1E100, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{283} normal block at 0x000001CCDCB258F0, 16 bytes long.
Data: < f²ÜÌ > 90 66 B2 DC CC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CCDCB1D2C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{281} normal block at 0x000001CCDCB255D0, 16 bytes long.
Data: <Øe²ÜÌ > D8 65 B2 DC CC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CCDCB25AD0, 16 bytes long.
Data: <°e²ÜÌ > B0 65 B2 DC CC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CCDCB25A80, 16 bytes long.
Data: < e²ÜÌ > 88 65 B2 DC CC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001CCDCB258A0, 16 bytes long.
Data: <`e²ÜÌ > 60 65 B2 DC CC 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001CCDCB25FD0, 16 bytes long.
Data: <8e²ÜÌ > 38 65 B2 DC CC 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001CCDCB26160, 16 bytes long.
Data: < e²ÜÌ > 10 65 B2 DC CC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CCDCB25E40, 16 bytes long.
Data: < ²ÜÌ > 80 00 B2 DC CC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001CCDCB20080, 40 bytes long.
Data: <@^²ÜÌ p¹ ÞÌ > 40 5E B2 DC CC 01 00 00 70 B9 80 DE CC 01 00 00
{272} normal block at 0x000001CCDCB25C10, 16 bytes long.
Data: <ðd²ÜÌ > F0 64 B2 DC CC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001CCDCB25C60, 16 bytes long.
Data: <Èd²ÜÌ > C8 64 B2 DC CC 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001CCDCB1DA40, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{269} normal block at 0x000001CCDCB25BC0, 16 bytes long.
Data: < d²ÜÌ > A0 64 B2 DC CC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001CCDCB264A0, 992 bytes long.
Data: <À[²ÜÌ @Ú±ÜÌ > C0 5B B2 DC CC 01 00 00 40 DA B1 DC CC 01 00 00
{104} normal block at 0x000001CCDCB1E160, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{103} normal block at 0x000001CCDCB1FA30, 16 bytes long.
Data: <@û±ÜÌ > 40 FB B1 DC CC 01 00 00 00 00 00 00 00 00 00 00
{102} normal block at 0x000001CCDCB1FB40, 40 bytes long.
Data: <0ú±ÜÌ `á±ÜÌ > 30 FA B1 DC CC 01 00 00 60 E1 B1 DC CC 01 00 00
{81} normal block at 0x000001CCDCB1F7B0, 16 bytes long.
Data: < ê ÷ > 80 EA 0C 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x000001CCDCB1F710, 16 bytes long.
Data: <@é ÷ > 40 E9 0C 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000001CCDCB1ECC0, 16 bytes long.
Data: <øW ÷ > F8 57 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000001CCDCB1F4E0, 16 bytes long.
Data: <ØW ÷ > D8 57 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001CCDCB1F170, 16 bytes long.
Data: <P ÷ > 50 04 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001CCDCB1F8F0, 16 bytes long.
Data: <0 ÷ > 30 04 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001CCDCB1F990, 16 bytes long.
Data: <à ÷ > E0 02 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001CCDCB1F3A0, 16 bytes long.
Data: < ÷ > 10 04 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001CCDCB1F850, 16 bytes long.
Data: <p ÷ > 70 04 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001CCDCB1F800, 16 bytes long.
Data: < À ÷ > 18 C0 07 16 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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