Task 38686081
| Name | test_425-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND1249_1 |
| Workunit | 31627521 |
| Created | 28 Oct 2026, 0:35:46 UTC |
| Sent | 28 Oct 2026, 0:35:53 UTC |
| Report deadline | 2 Nov 2026, 0:35:53 UTC |
| Received | 28 Oct 2026, 2:22:34 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653248 |
| Run time | 35 min 29 sec |
| CPU time | 33 min 42 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 19,933.22 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 724.34 MB |
| Peak swap size | 6.88 GB |
| Peak disk usage | 3.24 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:38:18 (21512): wrapper (7.9.26016): starting
21:38:18 (21512): 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
21:38:19 (21512): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:38:19 (21512): 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\7\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\7\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
22:12:33 (21512): C:/Windows/system32/cmd.exe exited; CPU time 2022.890625
22:12:33 (21512): 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: 35065003 bytes.
Dumping objects ->
{3835185} normal block at 0x000001F5D9184AF0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835174} normal block at 0x000001F5D9184A10, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835163} normal block at 0x000001F5D91849A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835152} normal block at 0x000001F5D9184A80, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835141} normal block at 0x000001F5D91848C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835110} normal block at 0x000001F5DAE47E80, 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) : {3835097} normal block at 0x000001F5D91811C0, 8 bytes long.
Data: < Ùõ > 00 00 11 D9 F5 01 00 00
{3833953} normal block at 0x000001F5D9180680, 8 bytes long.
Data: < Û Ùõ > 20 DB 16 D9 F5 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001F5D917E610, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F5D91707D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x000001F5D9185C90, 16 bytes long.
Data: <hf Ùõ > 68 66 18 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F5D9185470, 16 bytes long.
Data: <@f Ùõ > 40 66 18 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F5D917F400, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x000001F5D9185BF0, 16 bytes long.
Data: < f Ùõ > 18 66 18 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F5D9186140, 16 bytes long.
Data: <ðe Ùõ > F0 65 18 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F5D9185BA0, 16 bytes long.
Data: <Èe Ùõ > C8 65 18 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F5D9185420, 16 bytes long.
Data: < e Ùõ > A0 65 18 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F5D9184D90, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x000001F5D9185E20, 16 bytes long.
Data: <h´ Ùõ > 68 B4 16 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F5D9180180, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x000001F5D9185B50, 16 bytes long.
Data: <@´ Ùõ > 40 B4 16 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F5D91856F0, 16 bytes long.
Data: < ´ Ùõ > 18 B4 16 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F5D91853D0, 16 bytes long.
Data: <ð³ Ùõ > F0 B3 16 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F5D91860F0, 16 bytes long.
Data: <ȳ Ùõ > C8 B3 16 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F5D9185AB0, 16 bytes long.
Data: < ³ Ùõ > A0 B3 16 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F5D91860A0, 16 bytes long.
Data: <x³ Ùõ > 78 B3 16 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F5D917FF40, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x000001F5D91856A0, 16 bytes long.
Data: <P³ Ùõ > 50 B3 16 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F5D916B350, 320 bytes long.
Data: < V Ùõ @ÿ Ùõ > A0 56 18 D9 F5 01 00 00 40 FF 17 D9 F5 01 00 00
{272} normal block at 0x000001F5D9185920, 16 bytes long.
Data: < e Ùõ > 80 65 18 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F5D9185600, 16 bytes long.
Data: <Xe Ùõ > 58 65 18 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F5D9180120, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x000001F5D9185B00, 16 bytes long.
Data: <0e Ùõ > 30 65 18 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F5D917F3A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x000001F5D9186000, 16 bytes long.
Data: <xd Ùõ > 78 64 18 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F5D9185F60, 16 bytes long.
Data: <Pd Ùõ > 50 64 18 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F5D91862D0, 16 bytes long.
Data: <(d Ùõ > 28 64 18 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F5D9185830, 16 bytes long.
Data: < d Ùõ > 00 64 18 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F5D91854C0, 16 bytes long.
Data: <Øc Ùõ > D8 63 18 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F5D9185FB0, 16 bytes long.
Data: <°c Ùõ > B0 63 18 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F5D9185740, 16 bytes long.
Data: < M Ùõ > 20 4D 18 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F5D9184D20, 40 bytes long.
Data: <@W Ùõ ~äÚõ > 40 57 18 D9 F5 01 00 00 80 7E E4 DA F5 01 00 00
{258} normal block at 0x000001F5D9185A10, 16 bytes long.
Data: < c Ùõ > 90 63 18 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001F5D9186050, 16 bytes long.
Data: <hc Ùõ > 68 63 18 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001F5D91802A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x000001F5D9185380, 16 bytes long.
Data: <@c Ùõ > 40 63 18 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001F5D9186340, 992 bytes long.
Data: < S Ùõ   Ùõ > 80 53 18 D9 F5 01 00 00 A0 02 18 D9 F5 01 00 00
{90} normal block at 0x000001F5D917FD00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x000001F5D9180450, 16 bytes long.
Data: <pL Ùõ > 70 4C 17 D9 F5 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000001F5D9174C70, 40 bytes long.
Data: <P Ùõ ý Ùõ > 50 04 18 D9 F5 01 00 00 00 FD 17 D9 F5 01 00 00
{67} normal block at 0x000001F5D9180590, 16 bytes long.
Data: < ê¦ ö > 80 EA A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F5D9180630, 16 bytes long.
Data: <@é¦ ö > 40 E9 A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F5D91810D0, 16 bytes long.
Data: <øW£ ö > F8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F5D9180540, 16 bytes long.
Data: <ØW£ ö > D8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F5D9180720, 16 bytes long.
Data: <P £ ö > 50 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F5D9181080, 16 bytes long.
Data: <0 £ ö > 30 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F5D9181030, 16 bytes long.
Data: <à £ ö > E0 02 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001F5D9180770, 16 bytes long.
Data: < £ ö > 10 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001F5D9181120, 16 bytes long.
Data: <p £ ö > 70 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001F5D91805E0, 16 bytes long.
Data: < À¡ ö > 18 C0 A1 9D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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