Task 38678897
| Name | test_174-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND7413_0 |
| Workunit | 31620701 |
| Created | 26 Oct 2026, 18:51:04 UTC |
| Sent | 26 Oct 2026, 18:51:07 UTC |
| Report deadline | 31 Oct 2026, 18:51:07 UTC |
| Received | 26 Oct 2026, 19:41:44 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653122 |
| Run time | 25 min 3 sec |
| CPU time | 21 min 48 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 47,850.03 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 738.18 MB |
| Peak swap size | 10.00 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:17:41 (36340): wrapper (7.9.26016): starting
20:17:41 (36340): 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
20:17:42 (36340): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:17:42 (36340): 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\3\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\3\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
20:41:11 (36340): C:/Windows/system32/cmd.exe exited; CPU time 1308.937500
20:41:11 (36340): 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: 27893139 bytes.
Dumping objects ->
{3835202} normal block at 0x000001A0ED97D490, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835191} normal block at 0x000001A0ED97CCB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835180} normal block at 0x000001A0ED97CE00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835169} normal block at 0x000001A0ED97D960, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835158} normal block at 0x000001A0EBC54DD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835127} normal block at 0x000001A0ED9C7610, 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) : {3835114} normal block at 0x000001A0EBC4F9F0, 8 bytes long.
Data: < ¿ë  > 00 00 BF EB A0 01 00 00
{3833965} normal block at 0x000001A0EBC4F450, 8 bytes long.
Data: < >¢í  > 10 3E A2 ED A0 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001A0EBC51360, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001A0EBC469B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000001A0EBC56A00, 16 bytes long.
Data: <øZÅë  > F8 5A C5 EB A0 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001A0EBC56140, 16 bytes long.
Data: <ÐZÅë  > D0 5A C5 EB A0 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001A0EBC4E410, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000001A0EBC55CE0, 16 bytes long.
Data: <¨ZÅë  > A8 5A C5 EB A0 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001A0EBC55F10, 16 bytes long.
Data: < ZÅë  > 80 5A C5 EB A0 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001A0EBC560F0, 16 bytes long.
Data: <XZÅë  > 58 5A C5 EB A0 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001A0EBC56B40, 16 bytes long.
Data: <0ZÅë  > 30 5A C5 EB A0 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001A0EBC54BA0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000001A0EBC56780, 16 bytes long.
Data: < õÃë  > 98 F5 C3 EB A0 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001A0EBC4E3B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000001A0EBC55EC0, 16 bytes long.
Data: <põÃë  > 70 F5 C3 EB A0 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001A0EBC56370, 16 bytes long.
Data: <HõÃë  > 48 F5 C3 EB A0 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001A0EBC560A0, 16 bytes long.
Data: < õÃë  > 20 F5 C3 EB A0 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001A0EBC56AF0, 16 bytes long.
Data: <øôÃë  > F8 F4 C3 EB A0 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001A0EBC56820, 16 bytes long.
Data: <ÐôÃë  > D0 F4 C3 EB A0 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001A0EBC56910, 16 bytes long.
Data: <¨ôÃë  > A8 F4 C3 EB A0 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001A0EBC4D750, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000001A0EBC56320, 16 bytes long.
Data: < ôÃë  > 80 F4 C3 EB A0 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001A0EBC3F480, 320 bytes long.
Data: < cÅë  P×Äë  > 20 63 C5 EB A0 01 00 00 50 D7 C4 EB A0 01 00 00
{278} normal block at 0x000001A0EBC56230, 16 bytes long.
Data: < ZÅë  > 10 5A C5 EB A0 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001A0EBC55E20, 16 bytes long.
Data: <èYÅë  > E8 59 C5 EB A0 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001A0EBC4E230, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000001A0EBC56730, 16 bytes long.
Data: <ÀYÅë  > C0 59 C5 EB A0 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001A0EBC4D690, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000001A0EBC56640, 16 bytes long.
Data: < YÅë  > 08 59 C5 EB A0 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001A0EBC562D0, 16 bytes long.
Data: <àXÅë  > E0 58 C5 EB A0 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001A0EBC56050, 16 bytes long.
Data: <¸XÅë  > B8 58 C5 EB A0 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001A0EBC56000, 16 bytes long.
Data: < XÅë  > 90 58 C5 EB A0 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001A0EBC56AA0, 16 bytes long.
Data: <hXÅë  > 68 58 C5 EB A0 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001A0EBC4F950, 16 bytes long.
Data: <@XÅë  > 40 58 C5 EB A0 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001A0EBC4F860, 16 bytes long.
Data: <àIÅë  > E0 49 C5 EB A0 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001A0EBC549E0, 40 bytes long.
Data: <`øÄë  vœí  > 60 F8 C4 EB A0 01 00 00 10 76 9C ED A0 01 00 00
{264} normal block at 0x000001A0EBC4F7C0, 16 bytes long.
Data: < XÅë  > 20 58 C5 EB A0 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001A0EBC4F630, 16 bytes long.
Data: <øWÅë  > F8 57 C5 EB A0 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001A0EBC4E350, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000001A0EBC4F0E0, 16 bytes long.
Data: <ÐWÅë  > D0 57 C5 EB A0 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001A0EBC557D0, 992 bytes long.
Data: <àðÄë  PãÄë  > E0 F0 C4 EB A0 01 00 00 50 E3 C4 EB A0 01 00 00
{96} normal block at 0x000001A0EBC4D930, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000001A0EBC4F400, 16 bytes long.
Data: < LÅë  > 80 4C C5 EB A0 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001A0EBC54C80, 40 bytes long.
Data: < ôÄë  0ÙÄë  > 00 F4 C4 EB A0 01 00 00 30 D9 C4 EB A0 01 00 00
{73} normal block at 0x000001A0EBC4FB30, 16 bytes long.
Data: < ê ÷ > 80 EA 98 15 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001A0EBC4F270, 16 bytes long.
Data: <@é ÷ > 40 E9 98 15 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001A0EBC4F680, 16 bytes long.
Data: <øW• ÷ > F8 57 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001A0EBC4F310, 16 bytes long.
Data: <ØW• ÷ > D8 57 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001A0EBC4FAE0, 16 bytes long.
Data: <P • ÷ > 50 04 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001A0EBC4F040, 16 bytes long.
Data: <0 • ÷ > 30 04 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001A0EBC4EFF0, 16 bytes long.
Data: <à • ÷ > E0 02 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001A0EBC4EF50, 16 bytes long.
Data: < • ÷ > 10 04 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001A0EBC4F5E0, 16 bytes long.
Data: <p • ÷ > 70 04 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001A0EBC4EF00, 16 bytes long.
Data: < À“ ÷ > 18 C0 93 15 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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