Task 38687881
| Name | test_566-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND6042_0 |
| Workunit | 31629252 |
| Created | 28 Oct 2026, 10:19:38 UTC |
| Sent | 28 Oct 2026, 10:19:41 UTC |
| Report deadline | 2 Nov 2026, 10:19:41 UTC |
| Received | 28 Oct 2026, 11:57:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648712 |
| Run time | 47 min 26 sec |
| CPU time | 47 min 5 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,710.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 689.64 MB |
| Peak swap size | 6.76 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
19:08:42 (9196): wrapper (7.9.26016): starting
19:08:42 (9196): 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
19:08:43 (9196): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:08:43 (9196): 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
19:55:15 (9196): C:/Windows/system32/cmd.exe exited; CPU time 2825.000000
19:55:15 (9196): 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: 41927885 bytes.
Dumping objects ->
{3835255} normal block at 0x0000023D4463B880, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835244} normal block at 0x0000023D4463BEA0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835233} normal block at 0x0000023D4463C5A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835222} normal block at 0x0000023D4463BC00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835211} normal block at 0x0000023D4463BDC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835180} normal block at 0x0000023D47EA0E00, 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) : {3835167} normal block at 0x0000023D44639070, 8 bytes long.
Data: < G= > 00 00 FA 47 3D 02 00 00
{3834025} normal block at 0x0000023D44638FD0, 8 bytes long.
Data: <p G= > 70 D1 EF 47 3D 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000023D446371A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000023D4461B7B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x0000023D44638DF0, 16 bytes long.
Data: <( cD= > 28 85 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023D44639250, 16 bytes long.
Data: < cD= > 00 85 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000023D446327A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x0000023D44638E90, 16 bytes long.
Data: < cD= > D8 84 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000023D44638B70, 16 bytes long.
Data: < cD= > B0 84 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023D44638F80, 16 bytes long.
Data: < cD= > 88 84 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023D44638B20, 16 bytes long.
Data: <` cD= > 60 84 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023D44630F10, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x0000023D44638D00, 16 bytes long.
Data: <( cD= > 28 1E 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000023D446325C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x0000023D446349A0, 16 bytes long.
Data: < cD= > 00 1E 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000023D44634950, 16 bytes long.
Data: < cD= > D8 1D 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023D44634860, 16 bytes long.
Data: < cD= > B0 1D 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023D44634CC0, 16 bytes long.
Data: < cD= > 88 1D 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023D44634810, 16 bytes long.
Data: <` cD= > 60 1D 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023D446344F0, 16 bytes long.
Data: <8 cD= > 38 1D 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000023D44632380, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x0000023D44634360, 16 bytes long.
Data: < cD= > 10 1D 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000023D44631D10, 320 bytes long.
Data: <`CcD= #cD= > 60 43 63 44 3D 02 00 00 80 23 63 44 3D 02 00 00
{268} normal block at 0x0000023D44634A90, 16 bytes long.
Data: <@ cD= > 40 84 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023D44634310, 16 bytes long.
Data: < cD= > 18 84 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000023D44632200, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x0000023D44634130, 16 bytes long.
Data: < cD= > F0 83 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023D44632BC0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x0000023D44634630, 16 bytes long.
Data: <8 cD= > 38 83 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023D44634590, 16 bytes long.
Data: < cD= > 10 83 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000023D446344A0, 16 bytes long.
Data: < cD= > E8 82 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000023D446342C0, 16 bytes long.
Data: < cD= > C0 82 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000023D446340E0, 16 bytes long.
Data: < cD= > 98 82 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000023D44633F50, 16 bytes long.
Data: <p cD= > 70 82 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000023D44634E50, 16 bytes long.
Data: <P cD= > 50 14 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000023D44631450, 40 bytes long.
Data: <PNcD= G= > 50 4E 63 44 3D 02 00 00 00 0E EA 47 3D 02 00 00
{254} normal block at 0x0000023D44634E00, 16 bytes long.
Data: <P cD= > 50 82 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000023D44634C20, 16 bytes long.
Data: <( cD= > 28 82 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000023D44632B60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x0000023D44634B30, 16 bytes long.
Data: < cD= > 00 82 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000023D44638200, 992 bytes long.
Data: <0KcD= `+cD= > 30 4B 63 44 3D 02 00 00 60 2B 63 44 3D 02 00 00
{86} normal block at 0x0000023D44632560, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x0000023D446343B0, 16 bytes long.
Data: <p cD= > 70 13 63 44 3D 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000023D44631370, 40 bytes long.
Data: < CcD= `%cD= > B0 43 63 44 3D 02 00 00 60 25 63 44 3D 02 00 00
{61} normal block at 0x0000023D446346D0, 16 bytes long.
Data: < > 80 EA D8 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000023D44634A40, 16 bytes long.
Data: <@ > 40 E9 D8 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000023D44633FF0, 16 bytes long.
Data: < W > F8 57 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000023D44634090, 16 bytes long.
Data: < W > D8 57 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000023D44634400, 16 bytes long.
Data: <P > 50 04 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000023D446345E0, 16 bytes long.
Data: <0 > 30 04 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000023D44633FA0, 16 bytes long.
Data: < > E0 02 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000023D446349F0, 16 bytes long.
Data: < > 10 04 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x0000023D44634680, 16 bytes long.
Data: <p > 70 04 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x0000023D44634B80, 16 bytes long.
Data: < > 18 C0 D3 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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