Task 38687705
| Name | test_600-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND7740_0 |
| Workunit | 31629087 |
| Created | 28 Oct 2026, 9:16:49 UTC |
| Sent | 28 Oct 2026, 9:16:53 UTC |
| Report deadline | 2 Nov 2026, 9:16:53 UTC |
| Received | 28 Oct 2026, 10:19:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652922 |
| Run time | 19 min 31 sec |
| CPU time | 18 min |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 43,943.47 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 727.82 MB |
| Peak swap size | 8.49 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:56:17 (43320): wrapper (7.9.26016): starting
04:56:17 (43320): 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
04:56:18 (43320): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:56:18 (43320): 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\11\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\11\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
05:14:41 (43320): C:/Windows/system32/cmd.exe exited; CPU time 1080.171875
05:14:41 (43320): 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: 21048999 bytes.
Dumping objects ->
{3835250} normal block at 0x00000210EA39C660, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835239} normal block at 0x00000210E8704840, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835228} normal block at 0x00000210E87047D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835217} normal block at 0x00000210E8704CA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835206} normal block at 0x00000210E8704BC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835175} normal block at 0x00000210EA3EA840, 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) : {3835162} normal block at 0x00000210E86FF700, 8 bytes long.
Data: < ȏ > 00 00 BB E8 10 02 00 00
{3833961} normal block at 0x00000210E86FF480, 8 bytes long.
Data: < IGê > 20 49 47 EA 10 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000210E8700910, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000210E86F6910, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x00000210E8705950, 16 bytes long.
Data: <Èhpè > C8 68 70 E8 10 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000210E8706210, 16 bytes long.
Data: < hpè > A0 68 70 E8 10 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000210E8700300, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x00000210E8705D10, 16 bytes long.
Data: <xhpè > 78 68 70 E8 10 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000210E8705900, 16 bytes long.
Data: <Phpè > 50 68 70 E8 10 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000210E8705C70, 16 bytes long.
Data: <(hpè > 28 68 70 E8 10 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000210E8705810, 16 bytes long.
Data: < hpè > 00 68 70 E8 10 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000210E8704990, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x00000210E8705F90, 16 bytes long.
Data: <Hµnè > 48 B5 6E E8 10 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000210E86FFEE0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x00000210E8705A40, 16 bytes long.
Data: < µnè > 20 B5 6E E8 10 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000210E8705B30, 16 bytes long.
Data: <ø´nè > F8 B4 6E E8 10 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000210E87061C0, 16 bytes long.
Data: <дnè > D0 B4 6E E8 10 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000210E87059A0, 16 bytes long.
Data: <¨´nè > A8 B4 6E E8 10 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000210E8706170, 16 bytes long.
Data: < ´nè > 80 B4 6E E8 10 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000210E87060D0, 16 bytes long.
Data: <X´nè > 58 B4 6E E8 10 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000210E87006C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x00000210E8705E00, 16 bytes long.
Data: <0´nè > 30 B4 6E E8 10 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000210E86EB430, 320 bytes long.
Data: < ^pè À pè > 00 5E 70 E8 10 02 00 00 C0 06 70 E8 10 02 00 00
{276} normal block at 0x00000210E8706080, 16 bytes long.
Data: <àgpè > E0 67 70 E8 10 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000210E87057C0, 16 bytes long.
Data: <¸gpè > B8 67 70 E8 10 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000210E8700420, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x00000210E8705F40, 16 bytes long.
Data: < gpè > 90 67 70 E8 10 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000210E8700540, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x00000210E8705860, 16 bytes long.
Data: <Øfpè > D8 66 70 E8 10 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000210E8706300, 16 bytes long.
Data: <°fpè > B0 66 70 E8 10 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000210E8705E50, 16 bytes long.
Data: < fpè > 88 66 70 E8 10 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000210E8705C20, 16 bytes long.
Data: <`fpè > 60 66 70 E8 10 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000210E8705EF0, 16 bytes long.
Data: <8fpè > 38 66 70 E8 10 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000210E8705AE0, 16 bytes long.
Data: < fpè > 10 66 70 E8 10 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000210E8705A90, 16 bytes long.
Data: <0Lpè > 30 4C 70 E8 10 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000210E8704C30, 40 bytes long.
Data: < Zpè @¨>ê > 90 5A 70 E8 10 02 00 00 40 A8 3E EA 10 02 00 00
{262} normal block at 0x00000210E8706260, 16 bytes long.
Data: <ðepè > F0 65 70 E8 10 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000210E8705D60, 16 bytes long.
Data: <Èepè > C8 65 70 E8 10 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000210E86FFA60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x00000210E8706120, 16 bytes long.
Data: < epè > A0 65 70 E8 10 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000210E87065A0, 992 bytes long.
Data: < apè `úoè > 20 61 70 E8 10 02 00 00 60 FA 6F E8 10 02 00 00
{94} normal block at 0x00000210E86FF880, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x00000210E86FE8F0, 16 bytes long.
Data: < Ænè > 90 C6 6E E8 10 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x00000210E86EC690, 40 bytes long.
Data: <ðèoè øoè > F0 E8 6F E8 10 02 00 00 80 F8 6F E8 10 02 00 00
{71} normal block at 0x00000210E86FEB20, 16 bytes long.
Data: < ê Zö > 80 EA 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000210E86FE800, 16 bytes long.
Data: <@é Zö > 40 E9 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000210E86FEC60, 16 bytes long.
Data: <øW Zö > F8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000210E86FF570, 16 bytes long.
Data: <ØW Zö > D8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000210E86FEAD0, 16 bytes long.
Data: <P Zö > 50 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000210E86FF1B0, 16 bytes long.
Data: <0 Zö > 30 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000210E86FF390, 16 bytes long.
Data: <à Zö > E0 02 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000210E86FEDA0, 16 bytes long.
Data: < Zö > 10 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000210E86FF3E0, 16 bytes long.
Data: <p Zö > 70 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000210E86FEA30, 16 bytes long.
Data: < À Zö > 18 C0 12 5A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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