Task 38665217
| Name | test_149-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND3600_1 |
| Workunit | 31608125 |
| Created | 25 Oct 2026, 0:51:37 UTC |
| Sent | 25 Oct 2026, 0:56:12 UTC |
| Report deadline | 30 Oct 2026, 0:56:12 UTC |
| Received | 25 Oct 2026, 6:50:08 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 634205 |
| Run time | 1 hours 17 min 43 sec |
| CPU time | 1 hours 15 min 36 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 7,990.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 768.62 MB |
| Peak swap size | 12.94 GB |
| Peak disk usage | 3.24 GB |
Stderr output
<core_client_version>8.0.4</core_client_version>
<![CDATA[
<stderr_txt>
16:33:38 (5564): wrapper (7.9.26016): starting
16:33:38 (5564): 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
16:33:40 (5564): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:33:40 (5564): 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\3\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\3\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
17:49:31 (5564): C:/Windows/system32/cmd.exe exited; CPU time 4536.171875
17:49:31 (5564): 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: 95322131 bytes.
Dumping objects ->
{3835521} normal block at 0x0000013FD97E8970, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835510} normal block at 0x0000013FD97E90E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835499} normal block at 0x0000013FD97E8890, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835488} normal block at 0x0000013FD97E95B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835477} normal block at 0x0000013FD97E8900, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835446} normal block at 0x0000013FDB5F6720, 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) : {3835433} normal block at 0x0000013FD97C17A0, 8 bytes long.
Data: < ÝÙ? > 00 00 DD D9 3F 01 00 00
{3833971} normal block at 0x0000013FD97C1570, 8 bytes long.
Data: < åPÛ? > 80 E5 50 DB 3F 01 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000013FD97B6B40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000013FD97B79A0, 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 0x0000013FD97C6090, 16 bytes long.
Data: <Xf|Ù? > 58 66 7C D9 3F 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000013FD97C57D0, 16 bytes long.
Data: <0f|Ù? > 30 66 7C D9 3F 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000013FD97BFB80, 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 0x0000013FD97C5E10, 16 bytes long.
Data: < f|Ù? > 08 66 7C D9 3F 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000013FD97C5370, 16 bytes long.
Data: <àe|Ù? > E0 65 7C D9 3F 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000013FD97C55A0, 16 bytes long.
Data: <¸e|Ù? > B8 65 7C D9 3F 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000013FD97C5CD0, 16 bytes long.
Data: < e|Ù? > 90 65 7C D9 3F 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000013FD97BE760, 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 0x0000013FD97C5910, 16 bytes long.
Data: < {Ù? > 08 02 7B D9 3F 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000013FD97BFE80, 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 0x0000013FD97C58C0, 16 bytes long.
Data: <à {Ù? > E0 01 7B D9 3F 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000013FD97C5BE0, 16 bytes long.
Data: <¸ {Ù? > B8 01 7B D9 3F 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000013FD97C5730, 16 bytes long.
Data: < {Ù? > 90 01 7B D9 3F 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000013FD97C5AA0, 16 bytes long.
Data: <h {Ù? > 68 01 7B D9 3F 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000013FD97C60E0, 16 bytes long.
Data: <@ {Ù? > 40 01 7B D9 3F 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000013FD97C6220, 16 bytes long.
Data: < {Ù? > 18 01 7B D9 3F 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000013FD97C0540, 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 0x0000013FD97C5780, 16 bytes long.
Data: <ð {Ù? > F0 00 7B D9 3F 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000013FD97B00F0, 320 bytes long.
Data: < W|Ù? @ |Ù? > 80 57 7C D9 3F 01 00 00 40 05 7C D9 3F 01 00 00
{281} normal block at 0x0000013FD97C5C30, 16 bytes long.
Data: <pe|Ù? > 70 65 7C D9 3F 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000013FD97C56E0, 16 bytes long.
Data: <He|Ù? > 48 65 7C D9 3F 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000013FD97BFE20, 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 0x0000013FD97C5A50, 16 bytes long.
Data: < e|Ù? > 20 65 7C D9 3F 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000013FD97C0660, 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 0x0000013FD97C5B90, 16 bytes long.
Data: <hd|Ù? > 68 64 7C D9 3F 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000013FD97C5D70, 16 bytes long.
Data: <@d|Ù? > 40 64 7C D9 3F 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000013FD97C5A00, 16 bytes long.
Data: < d|Ù? > 18 64 7C D9 3F 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000013FD97C6040, 16 bytes long.
Data: <ðc|Ù? > F0 63 7C D9 3F 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000013FD97C53C0, 16 bytes long.
Data: <Èc|Ù? > C8 63 7C D9 3F 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000013FD97C5550, 16 bytes long.
Data: < c|Ù? > A0 63 7C D9 3F 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000013FD97C59B0, 16 bytes long.
Data: <Àä{Ù? > C0 E4 7B D9 3F 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000013FD97BE4C0, 40 bytes long.
Data: <°Y|Ù? g_Û? > B0 59 7C D9 3F 01 00 00 20 67 5F DB 3F 01 00 00
{267} normal block at 0x0000013FD97C5960, 16 bytes long.
Data: < c|Ù? > 80 63 7C D9 3F 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000013FD97C5690, 16 bytes long.
Data: <Xc|Ù? > 58 63 7C D9 3F 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000013FD97C0420, 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 0x0000013FD97C5870, 16 bytes long.
Data: <0c|Ù? > 30 63 7C D9 3F 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000013FD97C6330, 992 bytes long.
Data: <pX|Ù? |Ù? > 70 58 7C D9 3F 01 00 00 20 04 7C D9 3F 01 00 00
{99} normal block at 0x0000013FD97BFB20, 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 0x0000013FD97C12F0, 16 bytes long.
Data: < â{Ù? > 20 E2 7B D9 3F 01 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x0000013FD97BE220, 40 bytes long.
Data: <ð |Ù? û{Ù? > F0 12 7C D9 3F 01 00 00 20 FB 7B D9 3F 01 00 00
{76} normal block at 0x0000013FD97C1200, 16 bytes long.
Data: < ês·÷ > 80 EA 73 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000013FD97C0D00, 16 bytes long.
Data: <@és·÷ > 40 E9 73 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000013FD97C0DA0, 16 bytes long.
Data: <øWp·÷ > F8 57 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000013FD97C1520, 16 bytes long.
Data: <ØWp·÷ > D8 57 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000013FD97C0B20, 16 bytes long.
Data: <P p·÷ > 50 04 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000013FD97C12A0, 16 bytes long.
Data: <0 p·÷ > 30 04 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000013FD97C0F30, 16 bytes long.
Data: <à p·÷ > E0 02 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000013FD97C0990, 16 bytes long.
Data: < p·÷ > 10 04 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000013FD97C13E0, 16 bytes long.
Data: <p p·÷ > 70 04 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000013FD97C1480, 16 bytes long.
Data: < Àn·÷ > 18 C0 6E B7 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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