Task 38665374
| Name | test_60-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND5548_0 |
| Workunit | 31608477 |
| Created | 25 Oct 2026, 1:03:57 UTC |
| Sent | 25 Oct 2026, 1:04:49 UTC |
| Report deadline | 30 Oct 2026, 1:04:49 UTC |
| Received | 25 Oct 2026, 14:19:10 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654728 |
| Run time | 52 min 52 sec |
| CPU time | 48 min 20 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,255.46 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 654.98 MB |
| Peak swap size | 3.82 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:27:19 (12048): wrapper (7.9.26016): starting
08:27:19 (12048): 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
08:27:20 (12048): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:27:20 (12048): 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
09:18:45 (12048): C:/Windows/system32/cmd.exe exited; CPU time 2900.718750
09:18:45 (12048): 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: 38831227 bytes.
Dumping objects ->
{3835276} normal block at 0x000001849B2C3F30, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835265} normal block at 0x000001849B2C4630, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835254} normal block at 0x000001849B2C4550, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835243} normal block at 0x000001849B2C44E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835232} normal block at 0x000001849B2C4240, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835201} normal block at 0x000001849CF05F60, 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) : {3835188} normal block at 0x000001849B2BFA50, 8 bytes long.
Data: < l›„ > 00 00 6C 9B 84 01 00 00
{3833957} normal block at 0x000001849B2BF3C0, 8 bytes long.
Data: <`çᜄ > 60 E7 E1 9C 84 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001849B2C0010, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001849B2AED10, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001849B2C5640, 16 bytes long.
Data: < N,›„ > 18 4E 2C 9B 84 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001849B2C55F0, 16 bytes long.
Data: <ðM,›„ > F0 4D 2C 9B 84 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001849B2BE770, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001849B2C57D0, 16 bytes long.
Data: <ÈM,›„ > C8 4D 2C 9B 84 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001849B2C5DC0, 16 bytes long.
Data: < M,›„ > A0 4D 2C 9B 84 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001849B2C5000, 16 bytes long.
Data: <xM,›„ > 78 4D 2C 9B 84 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001849B2C5A50, 16 bytes long.
Data: <PM,›„ > 50 4D 2C 9B 84 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001849B2C42B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001849B2C5460, 16 bytes long.
Data: < µ*›„ > 18 B5 2A 9B 84 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001849B2BE410, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001849B2C50F0, 16 bytes long.
Data: <ð´*›„ > F0 B4 2A 9B 84 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001849B2C5AF0, 16 bytes long.
Data: <È´*›„ > C8 B4 2A 9B 84 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001849B2C58C0, 16 bytes long.
Data: < ´*›„ > A0 B4 2A 9B 84 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001849B2C5500, 16 bytes long.
Data: <x´*›„ > 78 B4 2A 9B 84 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001849B2C55A0, 16 bytes long.
Data: <P´*›„ > 50 B4 2A 9B 84 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001849B2C51E0, 16 bytes long.
Data: <(´*›„ > 28 B4 2A 9B 84 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001849B2BED10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001849B2C5A00, 16 bytes long.
Data: < ´*›„ > 00 B4 2A 9B 84 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001849B2AB400, 320 bytes long.
Data: < Z,›„ í+›„ > 00 5A 2C 9B 84 01 00 00 10 ED 2B 9B 84 01 00 00
{274} normal block at 0x000001849B2C5910, 16 bytes long.
Data: <0M,›„ > 30 4D 2C 9B 84 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001849B2C5B90, 16 bytes long.
Data: < M,›„ > 08 4D 2C 9B 84 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001849B2BE3B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001849B2C5370, 16 bytes long.
Data: <àL,›„ > E0 4C 2C 9B 84 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001849B2BE350, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001849B2C59B0, 16 bytes long.
Data: <(L,›„ > 28 4C 2C 9B 84 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001849B2C53C0, 16 bytes long.
Data: < L,›„ > 00 4C 2C 9B 84 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001849B2C4F60, 16 bytes long.
Data: <ØK,›„ > D8 4B 2C 9B 84 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001849B2C5780, 16 bytes long.
Data: <°K,›„ > B0 4B 2C 9B 84 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001849B2BFC80, 16 bytes long.
Data: < K,›„ > 88 4B 2C 9B 84 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001849B2BFBE0, 16 bytes long.
Data: <`K,›„ > 60 4B 2C 9B 84 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001849B2BF8C0, 16 bytes long.
Data: < @,›„ > 10 40 2C 9B 84 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001849B2C4010, 40 bytes long.
Data: <Àø+›„ `_𜄠> C0 F8 2B 9B 84 01 00 00 60 5F F0 9C 84 01 00 00
{260} normal block at 0x000001849B2BFB90, 16 bytes long.
Data: <@K,›„ > 40 4B 2C 9B 84 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001849B2BF2D0, 16 bytes long.
Data: < K,›„ > 18 4B 2C 9B 84 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001849B2BDFF0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001849B2BF000, 16 bytes long.
Data: <ðJ,›„ > F0 4A 2C 9B 84 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001849B2C4AF0, 992 bytes long.
Data: < ð+›„ ðß+›„ > 00 F0 2B 9B 84 01 00 00 F0 DF 2B 9B 84 01 00 00
{92} normal block at 0x000001849B2BEE30, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001849B2BF320, 16 bytes long.
Data: <àÒ*›„ > E0 D2 2A 9B 84 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001849B2AD2E0, 40 bytes long.
Data: < ó+›„ 0î+›„ > 20 F3 2B 9B 84 01 00 00 30 EE 2B 9B 84 01 00 00
{69} normal block at 0x000001849B2BF5A0, 16 bytes long.
Data: < ê zö > 80 EA 19 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001849B2BF280, 16 bytes long.
Data: <@é zö > 40 E9 19 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001849B2BF140, 16 bytes long.
Data: <øW zö > F8 57 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001849B2BF500, 16 bytes long.
Data: <ØW zö > D8 57 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001849B2BFB40, 16 bytes long.
Data: <P zö > 50 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001849B2BF910, 16 bytes long.
Data: <0 zö > 30 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001849B2BF550, 16 bytes long.
Data: <à zö > E0 02 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001849B2BFD20, 16 bytes long.
Data: < zö > 10 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001849B2BFCD0, 16 bytes long.
Data: <p zö > 70 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001849B2BFF00, 16 bytes long.
Data: < À zö > 18 C0 14 7A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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