Task 38684613
| Name | test_105-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND9917_0 |
| Workunit | 31626121 |
| Created | 27 Oct 2026, 17:10:39 UTC |
| Sent | 27 Oct 2026, 17:10:42 UTC |
| Report deadline | 1 Nov 2026, 17:10:42 UTC |
| Received | 27 Oct 2026, 18:01:56 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646363 |
| Run time | 47 min |
| CPU time | 43 min 7 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,611.60 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 699.28 MB |
| Peak swap size | 3.75 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:12:45 (30692): wrapper (7.9.26016): starting
17:12:45 (30692): 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
17:13:07 (30692): Library/usr/bin/tar.exe exited; CPU time 0.140625
17:13:07 (30692): 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:\ProgramData\BOINC\slots\4\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:\ProgramData\BOINC\slots\4\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
18:01:01 (30692): C:/Windows/system32/cmd.exe exited; CPU time 2587.765625
18:01:01 (30692): 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: 72445315 bytes.
Dumping objects ->
{3835471} normal block at 0x000001E6D3DDB3F0, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835460} normal block at 0x000001E6D3DB6F30, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835449} normal block at 0x000001E6D3DB72B0, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835438} normal block at 0x000001E6D3DB7470, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835427} normal block at 0x000001E6D3DB7240, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835396} normal block at 0x000001E6D5B2B2B0, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835383} normal block at 0x000001E6D3DB01C0, 8 bytes long.
Data: < *Ôæ > 00 00 2A D4 E6 01 00 00
{3833963} normal block at 0x000001E6D3DB0120, 8 bytes long.
Data: < k¸Õæ > A0 6B B8 D5 E6 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001E6D3DB1900, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001E6D3D9EC10, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001E6D3DB7FD0, 16 bytes long.
Data: <h ÛÓæ > 68 88 DB D3 E6 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001E6D3DB7E40, 16 bytes long.
Data: <@ ÛÓæ > 40 88 DB D3 E6 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E6D3DAD7D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001E6D3DB8390, 16 bytes long.
Data: < ÛÓæ > 18 88 DB D3 E6 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E6D3DB7A30, 16 bytes long.
Data: <ð‡ÛÓæ > F0 87 DB D3 E6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E6D3DB7620, 16 bytes long.
Data: <ȇÛÓæ > C8 87 DB D3 E6 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E6D3DB75D0, 16 bytes long.
Data: < ‡ÛÓæ > A0 87 DB D3 E6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E6D3DB6FA0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001E6D3DB8110, 16 bytes long.
Data: <(ýÙÓæ > 28 FD D9 D3 E6 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E6D3DAD410, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001E6D3DB77B0, 16 bytes long.
Data: < ýÙÓæ > 00 FD D9 D3 E6 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E6D3DB7F80, 16 bytes long.
Data: <ØüÙÓæ > D8 FC D9 D3 E6 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E6D3DB79E0, 16 bytes long.
Data: <°üÙÓæ > B0 FC D9 D3 E6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E6D3DB8340, 16 bytes long.
Data: < üÙÓæ > 88 FC D9 D3 E6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E6D3DB7580, 16 bytes long.
Data: <`üÙÓæ > 60 FC D9 D3 E6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E6D3DB7F30, 16 bytes long.
Data: <8üÙÓæ > 38 FC D9 D3 E6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E6D3DAD530, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001E6D3DB7DF0, 16 bytes long.
Data: < üÙÓæ > 10 FC D9 D3 E6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E6D3D9FC10, 320 bytes long.
Data: <ð}ÛÓæ 0ÕÚÓæ > F0 7D DB D3 E6 01 00 00 30 D5 DA D3 E6 01 00 00
{277} normal block at 0x000001E6D3DB7710, 16 bytes long.
Data: < ‡ÛÓæ > 80 87 DB D3 E6 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E6D3DB78A0, 16 bytes long.
Data: <X‡ÛÓæ > 58 87 DB D3 E6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E6D3DAD650, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001E6D3DB7D50, 16 bytes long.
Data: <0‡ÛÓæ > 30 87 DB D3 E6 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E6D3DADD70, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001E6D3DB7DA0, 16 bytes long.
Data: <x†ÛÓæ > 78 86 DB D3 E6 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E6D3DB7850, 16 bytes long.
Data: <P†ÛÓæ > 50 86 DB D3 E6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E6D3DB82A0, 16 bytes long.
Data: <(†ÛÓæ > 28 86 DB D3 E6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E6D3DB82F0, 16 bytes long.
Data: < †ÛÓæ > 00 86 DB D3 E6 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E6D3DB83E0, 16 bytes long.
Data: <Ø…ÛÓæ > D8 85 DB D3 E6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E6D3DB76C0, 16 bytes long.
Data: <°…ÛÓæ > B0 85 DB D3 E6 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E6D3DB7990, 16 bytes long.
Data: <PnÛÓæ > 50 6E DB D3 E6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E6D3DB6E50, 40 bytes long.
Data: < yÛÓæ °²²Õæ > 90 79 DB D3 E6 01 00 00 B0 B2 B2 D5 E6 01 00 00
{263} normal block at 0x000001E6D3DB7BC0, 16 bytes long.
Data: < …ÛÓæ > 90 85 DB D3 E6 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E6D3DB7E90, 16 bytes long.
Data: <h…ÛÓæ > 68 85 DB D3 E6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E6D3DAD9B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001E6D3DB7EE0, 16 bytes long.
Data: <@…ÛÓæ > 40 85 DB D3 E6 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E6D3DB8540, 992 bytes long.
Data: <à~ÛÓæ °ÙÚÓæ > E0 7E DB D3 E6 01 00 00 B0 D9 DA D3 E6 01 00 00
{95} normal block at 0x000001E6D3DAD2F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001E6D3DAF540, 16 bytes long.
Data: <P ÚÓæ > 50 9D DA D3 E6 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001E6D3DA9D50, 40 bytes long.
Data: <@õÚÓæ ðÒÚÓæ > 40 F5 DA D3 E6 01 00 00 F0 D2 DA D3 E6 01 00 00
{72} normal block at 0x000001E6D3DAF400, 16 bytes long.
Data: < ê  ö > 80 EA 14 A0 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001E6D3DAFBD0, 16 bytes long.
Data: <@é  ö > 40 E9 14 A0 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001E6D3DAFAE0, 16 bytes long.
Data: <øW  ö > F8 57 11 A0 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001E6D3DAF630, 16 bytes long.
Data: <ØW  ö > D8 57 11 A0 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E6D3DAFEF0, 16 bytes long.
Data: <P  ö > 50 04 11 A0 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E6D3DAF680, 16 bytes long.
Data: <0  ö > 30 04 11 A0 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E6D3DAF2C0, 16 bytes long.
Data: <à  ö > E0 02 11 A0 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E6D3DAF270, 16 bytes long.
Data: <  ö > 10 04 11 A0 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E6D3DAF770, 16 bytes long.
Data: <p  ö > 70 04 11 A0 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E6D3DAFDB0, 16 bytes long.
Data: < À  ö > 18 C0 0F A0 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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