Task 38690122
| Name | test_127-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND3164_1 |
| Workunit | 31631293 |
| Created | 29 Oct 2026, 2:30:27 UTC |
| Sent | 29 Oct 2026, 2:30:30 UTC |
| Report deadline | 3 Nov 2026, 2:30:30 UTC |
| Received | 29 Oct 2026, 4:34:41 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654491 |
| Run time | 1 hours 42 min 14 sec |
| CPU time | 1 hours 33 min 49 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 21,377.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 729.43 MB |
| Peak swap size | 6.93 GB |
| Peak disk usage | 4.15 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:56:27 (31312): wrapper (7.9.26016): starting
11:56:27 (31312): 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
11:56:31 (31312): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:56:31 (31312): 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: Exiting with failure status due to previous errors
13:33:27 (31312): C:/Windows/system32/cmd.exe exited; CPU time 5629.125000
13:33:27 (31312): 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: 119915837 bytes.
Dumping objects ->
{3835602} normal block at 0x00000209594FDE30, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835591} normal block at 0x0000020957615770, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835580} normal block at 0x0000020957615A10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835569} normal block at 0x0000020957615700, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835558} normal block at 0x00000209576158C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835527} normal block at 0x0000020959549800, 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) : {3835514} normal block at 0x000002095760DFE0, 8 bytes long.
Data: < YW > 00 00 59 57 09 02 00 00
{3834075} normal block at 0x000002095760EAD0, 8 bytes long.
Data: < zYY > 80 7A 59 59 09 02 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000020957611D20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000020957606830, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000020957616CE0, 16 bytes long.
Data: < waW > F8 77 61 57 09 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000020957616970, 16 bytes long.
Data: < waW > D0 77 61 57 09 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000020957610730, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000020957617320, 16 bytes long.
Data: < waW > A8 77 61 57 09 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000020957616A60, 16 bytes long.
Data: < waW > 80 77 61 57 09 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000209576168D0, 16 bytes long.
Data: <XwaW > 58 77 61 57 09 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000020957617140, 16 bytes long.
Data: <0waW > 30 77 61 57 09 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020957615620, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x00000209576172D0, 16 bytes long.
Data: <( `W > 28 FA 60 57 09 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000020957610790, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x0000020957616C40, 16 bytes long.
Data: < `W > 00 FA 60 57 09 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020957617280, 16 bytes long.
Data: < `W > D8 F9 60 57 09 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020957616880, 16 bytes long.
Data: < `W > B0 F9 60 57 09 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000020957616830, 16 bytes long.
Data: < `W > 88 F9 60 57 09 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020957616B00, 16 bytes long.
Data: <` `W > 60 F9 60 57 09 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000209576166F0, 16 bytes long.
Data: <8 `W > 38 F9 60 57 09 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000020957610970, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x0000020957617230, 16 bytes long.
Data: < `W > 10 F9 60 57 09 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002095760F910, 320 bytes long.
Data: <0raW p aW > 30 72 61 57 09 02 00 00 70 09 61 57 09 02 00 00
{280} normal block at 0x0000020957616BF0, 16 bytes long.
Data: < waW > 10 77 61 57 09 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020957616BA0, 16 bytes long.
Data: < vaW > E8 76 61 57 09 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020957610550, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x00000209576171E0, 16 bytes long.
Data: < vaW > C0 76 61 57 09 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002095760FB90, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000020957616510, 16 bytes long.
Data: < vaW > 08 76 61 57 09 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000209576170F0, 16 bytes long.
Data: < uaW > E0 75 61 57 09 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000209576165B0, 16 bytes long.
Data: < uaW > B8 75 61 57 09 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020957616560, 16 bytes long.
Data: < uaW > 90 75 61 57 09 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000209576167E0, 16 bytes long.
Data: <huaW > 68 75 61 57 09 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020957616DD0, 16 bytes long.
Data: <@uaW > 40 75 61 57 09 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020957617190, 16 bytes long.
Data: <0YaW > 30 59 61 57 09 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020957615930, 40 bytes long.
Data: < qaW TY > 90 71 61 57 09 02 00 00 00 98 54 59 09 02 00 00
{266} normal block at 0x0000020957616790, 16 bytes long.
Data: < uaW > 20 75 61 57 09 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020957616740, 16 bytes long.
Data: < taW > F8 74 61 57 09 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000209576105B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x0000020957616AB0, 16 bytes long.
Data: < taW > D0 74 61 57 09 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000209576174D0, 992 bytes long.
Data: < jaW aW > B0 6A 61 57 09 02 00 00 B0 05 61 57 09 02 00 00
{98} normal block at 0x00000209576109D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x000002095760EE90, 16 bytes long.
Data: < _W > 90 DF 5F 57 09 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x00000209575FDF90, 40 bytes long.
Data: < `W aW > 90 EE 60 57 09 02 00 00 D0 09 61 57 09 02 00 00
{73} normal block at 0x000002095760E4E0, 16 bytes long.
Data: < x > 80 EA 78 97 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002095760E1C0, 16 bytes long.
Data: <@ x > 40 E9 78 97 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002095760E2B0, 16 bytes long.
Data: < Wu > F8 57 75 97 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002095760E940, 16 bytes long.
Data: < Wu > D8 57 75 97 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002095760E0D0, 16 bytes long.
Data: <P u > 50 04 75 97 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002095760DF90, 16 bytes long.
Data: <0 u > 30 04 75 97 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002095760E210, 16 bytes long.
Data: < u > E0 02 75 97 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002095760DF40, 16 bytes long.
Data: < u > 10 04 75 97 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002095760E5D0, 16 bytes long.
Data: <p u > 70 04 75 97 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002095760E3F0, 16 bytes long.
Data: < s > 18 C0 73 97 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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