Task 38685359
| Name | test_804-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND3034_0 |
| Workunit | 31626829 |
| Created | 27 Oct 2026, 20:41:18 UTC |
| Sent | 27 Oct 2026, 20:41:24 UTC |
| Report deadline | 1 Nov 2026, 20:41:24 UTC |
| Received | 28 Oct 2026, 7:57:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643112 |
| Run time | 2 hours 10 min 30 sec |
| CPU time | 2 hours 9 min 49 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,171.24 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 662.97 MB |
| Peak swap size | 14.41 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
23:43:33 (65288): wrapper (7.9.26016): starting
23:43:33 (65288): 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
23:43:35 (65288): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:43:35 (65288): 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\2\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\2\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.
10:50:42 (25552): wrapper (7.9.26016): starting
10:50:42 (25552): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\tmp 㦥 áãé¥áâ¢ã¥â.
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
10:56:39 (25552): C:/Windows/system32/cmd.exe exited; CPU time 298.046875
10:56:39 (25552): 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: 7558106 bytes.
Dumping objects ->
{1614} normal block at 0x000002698CDDD6F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1603} normal block at 0x000002698CDDD610, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1592} normal block at 0x000002698CDDDA00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1581} normal block at 0x000002698CDDDBC0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1570} normal block at 0x000002698CDDDB50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1539} normal block at 0x000002698CDCC470, 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) : {1526} normal block at 0x000002698CDE4420, 8 bytes long.
Data: < i > 00 00 D9 8C 69 02 00 00
{311} normal block at 0x000002698CDE3F70, 8 bytes long.
Data: < 4 i > B0 34 DE 8C 69 02 00 00
{302} normal block at 0x000002698CDDEDC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x000002698CDE4290, 16 bytes long.
Data: < Q i > F8 51 DE 8C 69 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002698CDE3B60, 16 bytes long.
Data: < Q i > D0 51 DE 8C 69 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002698CDDD0C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x000002698CDE3B10, 16 bytes long.
Data: < Q i > A8 51 DE 8C 69 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002698CDE4A60, 16 bytes long.
Data: < Q i > 80 51 DE 8C 69 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002698CDE4830, 16 bytes long.
Data: <XQ i > 58 51 DE 8C 69 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002698CDE4240, 16 bytes long.
Data: <0Q i > 30 51 DE 8C 69 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002698CDDD5A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x000002698CDE41F0, 16 bytes long.
Data: < i > B8 C7 DC 8C 69 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002698CDDD120, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x000002698CDE47E0, 16 bytes long.
Data: < i > 90 C7 DC 8C 69 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002698CDE3C50, 16 bytes long.
Data: <h i > 68 C7 DC 8C 69 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002698CDE48D0, 16 bytes long.
Data: <@ i > 40 C7 DC 8C 69 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002698CDE4650, 16 bytes long.
Data: < i > 18 C7 DC 8C 69 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002698CDE3CA0, 16 bytes long.
Data: < i > F0 C6 DC 8C 69 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002698CDE3E80, 16 bytes long.
Data: < i > C8 C6 DC 8C 69 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002698CDDCD00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x000002698CDE40B0, 16 bytes long.
Data: < i > A0 C6 DC 8C 69 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002698CDCC6A0, 320 bytes long.
Data: < @ i i > B0 40 DE 8C 69 02 00 00 00 CD DD 8C 69 02 00 00
{281} normal block at 0x000002698CDE41A0, 16 bytes long.
Data: < Q i > 10 51 DE 8C 69 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002698CDE49C0, 16 bytes long.
Data: < P i > E8 50 DE 8C 69 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002698CDDC760, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x000002698CDE42E0, 16 bytes long.
Data: < P i > C0 50 DE 8C 69 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002698CDDD060, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x000002698CDE4A10, 16 bytes long.
Data: < P i > 08 50 DE 8C 69 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002698CDE3BB0, 16 bytes long.
Data: < O i > E0 4F DE 8C 69 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002698CDE4920, 16 bytes long.
Data: < O i > B8 4F DE 8C 69 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002698CDE4740, 16 bytes long.
Data: < O i > 90 4F DE 8C 69 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002698CDE3D90, 16 bytes long.
Data: <hO i > 68 4F DE 8C 69 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002698CDE4060, 16 bytes long.
Data: <@O i > 40 4F DE 8C 69 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002698CDE4880, 16 bytes long.
Data: < i > E0 DA DD 8C 69 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002698CDDDAE0, 40 bytes long.
Data: < H i p i > 80 48 DE 8C 69 02 00 00 70 C4 DC 8C 69 02 00 00
{267} normal block at 0x000002698CDE4560, 16 bytes long.
Data: < O i > 20 4F DE 8C 69 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002698CDE44C0, 16 bytes long.
Data: < N i > F8 4E DE 8C 69 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002698CDDC700, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x000002698CDE3F20, 16 bytes long.
Data: < N i > D0 4E DE 8C 69 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002698CDE4ED0, 992 bytes long.
Data: < ? i i > 20 3F DE 8C 69 02 00 00 00 C7 DD 8C 69 02 00 00
{99} normal block at 0x000002698CDDCCA0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x000002698CDD7B10, 16 bytes long.
Data: < i > 20 D9 DD 8C 69 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000002698CDDD920, 40 bytes long.
Data: < { i i > 10 7B DD 8C 69 02 00 00 A0 CC DD 8C 69 02 00 00
{76} normal block at 0x000002698CDD7A70, 16 bytes long.
Data: < D > 80 EA AB 44 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000002698CDD7A20, 16 bytes long.
Data: <@ D > 40 E9 AB 44 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002698CDD7DE0, 16 bytes long.
Data: < W D > F8 57 A8 44 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002698CDD77A0, 16 bytes long.
Data: < W D > D8 57 A8 44 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002698CDD7E30, 16 bytes long.
Data: <P D > 50 04 A8 44 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002698CDD83D0, 16 bytes long.
Data: <0 D > 30 04 A8 44 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002698CDD82E0, 16 bytes long.
Data: < D > E0 02 A8 44 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002698CDD7F70, 16 bytes long.
Data: < D > 10 04 A8 44 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002698CDD8420, 16 bytes long.
Data: <p D > 70 04 A8 44 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002698CDD8060, 16 bytes long.
Data: < D > 18 C0 A6 44 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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