Task 38681519
| Name | test_293-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND4941_0 |
| Workunit | 31623183 |
| Created | 27 Oct 2026, 4:19:49 UTC |
| Sent | 27 Oct 2026, 4:19:53 UTC |
| Report deadline | 1 Nov 2026, 4:19:53 UTC |
| Received | 27 Oct 2026, 6:00:17 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652906 |
| Run time | 34 min 5 sec |
| CPU time | 32 min 26 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,394.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 723.29 MB |
| Peak swap size | 8.36 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:25:52 (71540): wrapper (7.9.26016): starting
01:25:52 (71540): 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
01:25:53 (71540): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:25:53 (71540): 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\0\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\0\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
01:59:43 (71540): C:/Windows/system32/cmd.exe exited; CPU time 1946.109375
01:59:43 (71540): 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: 45069155 bytes.
Dumping objects ->
{3835247} normal block at 0x0000016C30C96E90, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835236} normal block at 0x0000016C30C97980, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835225} normal block at 0x0000016C30C97440, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835214} normal block at 0x0000016C2EB484B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835203} normal block at 0x0000016C2EB48440, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835172} normal block at 0x0000016C30C01010, 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) : {3835159} normal block at 0x0000016C2EB400B0, 8 bytes long.
Data: < š.l > 00 00 9A 2E 6C 01 00 00
{3833953} normal block at 0x0000016C2EB40470, 8 bytes long.
Data: <°aÉ0l > B0 61 C9 30 6C 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000016C2EB50230, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000016C2EB36590, 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 0x0000016C2EB4C3B0, 16 bytes long.
Data: < Ö´.l > 98 D6 B4 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000016C2EB4D2B0, 16 bytes long.
Data: <pÖ´.l > 70 D6 B4 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000016C2EB4E320, 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 0x0000016C2EB4CD60, 16 bytes long.
Data: <HÖ´.l > 48 D6 B4 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000016C2EB4D260, 16 bytes long.
Data: < Ö´.l > 20 D6 B4 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000016C2EB4D210, 16 bytes long.
Data: <øÕ´.l > F8 D5 B4 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000016C2EB4C7C0, 16 bytes long.
Data: <ÐÕ´.l > D0 D5 B4 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000016C2EB48280, 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 0x0000016C2EB4D120, 16 bytes long.
Data: <È ³.l > C8 00 B3 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000016C2EB4DB40, 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 0x0000016C2EB4CFE0, 16 bytes long.
Data: <  ³.l > A0 00 B3 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000016C2EB4C720, 16 bytes long.
Data: <x ³.l > 78 00 B3 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000016C2EB4D170, 16 bytes long.
Data: <P ³.l > 50 00 B3 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000016C2EB4CB80, 16 bytes long.
Data: <( ³.l > 28 00 B3 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000016C2EB4CB30, 16 bytes long.
Data: < ³.l > 00 00 B3 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000016C2EB4C450, 16 bytes long.
Data: <Øÿ².l > D8 FF B2 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000016C2EB42280, 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 0x0000016C2EB4CAE0, 16 bytes long.
Data: <°ÿ².l > B0 FF B2 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000016C2EB2FFB0, 320 bytes long.
Data: <àÊ´.l "´.l > E0 CA B4 2E 6C 01 00 00 80 22 B4 2E 6C 01 00 00
{272} normal block at 0x0000016C2EB4CC70, 16 bytes long.
Data: <°Õ´.l > B0 D5 B4 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000016C2EB4C770, 16 bytes long.
Data: < Õ´.l > 88 D5 B4 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000016C2EB42220, 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 0x0000016C2EB4C8B0, 16 bytes long.
Data: <`Õ´.l > 60 D5 B4 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000016C2EB2F300, 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 0x0000016C2EB4CF90, 16 bytes long.
Data: <¨Ô´.l > A8 D4 B4 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000016C2EB4D1C0, 16 bytes long.
Data: < Ô´.l > 80 D4 B4 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000016C2EB4D080, 16 bytes long.
Data: <XÔ´.l > 58 D4 B4 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000016C2EB4C6D0, 16 bytes long.
Data: <0Ô´.l > 30 D4 B4 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000016C2EB4C9A0, 16 bytes long.
Data: < Ô´.l > 08 D4 B4 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000016C2EB4C680, 16 bytes long.
Data: <àÓ´.l > E0 D3 B4 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000016C2EB4D300, 16 bytes long.
Data: < …´.l > 90 85 B4 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000016C2EB48590, 40 bytes long.
Data: < Ó´.l À0l > 00 D3 B4 2E 6C 01 00 00 10 10 C0 30 6C 01 00 00
{258} normal block at 0x0000016C2EB4CC20, 16 bytes long.
Data: <ÀÓ´.l > C0 D3 B4 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000016C2EB4C630, 16 bytes long.
Data: < Ó´.l > 98 D3 B4 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000016C2EB41740, 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 0x0000016C2EB4CA90, 16 bytes long.
Data: <pÓ´.l > 70 D3 B4 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000016C2EB4D370, 992 bytes long.
Data: < Ê´.l @ ´.l > 90 CA B4 2E 6C 01 00 00 40 17 B4 2E 6C 01 00 00
{90} normal block at 0x0000016C2EB41E00, 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 0x0000016C2EB40420, 16 bytes long.
Data: < ‚´.l > 10 82 B4 2E 6C 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000016C2EB48210, 40 bytes long.
Data: < ´.l ´.l > 20 04 B4 2E 6C 01 00 00 00 1E B4 2E 6C 01 00 00
{67} normal block at 0x0000016C2EB3FCF0, 16 bytes long.
Data: < ê©’÷ > 80 EA A9 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000016C2EB40150, 16 bytes long.
Data: <@é©’÷ > 40 E9 A9 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000016C2EB3FA20, 16 bytes long.
Data: <øW¦’÷ > F8 57 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000016C2EB3FED0, 16 bytes long.
Data: <ØW¦’÷ > D8 57 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000016C2EB3FCA0, 16 bytes long.
Data: <P ¦’÷ > 50 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000016C2EB401F0, 16 bytes long.
Data: <0 ¦’÷ > 30 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000016C2EB3F9D0, 16 bytes long.
Data: <à ¦’÷ > E0 02 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000016C2EB3FD90, 16 bytes long.
Data: < ¦’÷ > 10 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000016C2EB3F8E0, 16 bytes long.
Data: <p ¦’÷ > 70 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000016C2EB40510, 16 bytes long.
Data: < À¤’÷ > 18 C0 A4 92 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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