Task 38688770
| Name | test_897-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND6886_0 |
| Workunit | 31630092 |
| Created | 28 Oct 2026, 16:03:23 UTC |
| Sent | 28 Oct 2026, 16:03:29 UTC |
| Report deadline | 2 Nov 2026, 16:03:29 UTC |
| Received | 28 Oct 2026, 21:50:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 590980 |
| Run time | 3 hours 22 min 24 sec |
| CPU time | 3 hours 2 min 10 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 10,947.62 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 732.77 MB |
| Peak swap size | 6.89 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:15:49 (23484): wrapper (7.9.26016): starting
19:15:49 (23484): 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
19:15:51 (23484): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:15:51 (23484): 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\17\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\17\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.
22:29:53 (23484): C:/Windows/system32/cmd.exe exited; CPU time 10683.828125
22:29:53 (23484): app exit status: 0x40010004
22:29:53 (23484): called boinc_finish(195)
22:35:29 (24560): wrapper (7.9.26016): starting
22:35:29 (24560): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\17\tmp existe d‚j….
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
22:50:34 (24560): C:/Windows/system32/cmd.exe exited; CPU time 733.843750
22:50:34 (24560): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 bytes in 8 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: 16558743 bytes.
Dumping objects ->
{1813} normal block at 0x0000026E9FF05060, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1802} normal block at 0x0000026E9FF04CE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1791} normal block at 0x0000026E9FF04B20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1780} normal block at 0x0000026E9FF04E30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1769} normal block at 0x0000026E9FF04B90, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1738} normal block at 0x0000026E9FEEFA20, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1727} normal block at 0x0000026E9FEEC690, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1724} normal block at 0x0000026E9FF06290, 8 bytes long.
Data: < ( n > 00 00 28 A0 6E 02 00 00
{1006} normal block at 0x0000026E9FEF0E20, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{310} normal block at 0x0000026E9FF06600, 8 bytes long.
Data: < k n > 80 6B F0 9F 6E 02 00 00
{301} normal block at 0x0000026E9FEEEE10, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000026E9FF06240, 16 bytes long.
Data: < j n > 88 6A F0 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000026E9FF065B0, 16 bytes long.
Data: <`j n > 60 6A F0 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000026E9FF00C20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000026E9FF05F70, 16 bytes long.
Data: <8j n > 38 6A F0 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000026E9FF05AC0, 16 bytes long.
Data: < j n > 10 6A F0 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000026E9FF05D90, 16 bytes long.
Data: < i n > E8 69 F0 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000026E9FF06560, 16 bytes long.
Data: < i n > C0 69 F0 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000026E9FF04AB0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x0000026E9FF06510, 16 bytes long.
Data: <H n > 48 CB EE 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000026E9FF00F80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x0000026E9FF06100, 16 bytes long.
Data: < n > 20 CB EE 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000026E9FF06420, 16 bytes long.
Data: < n > F8 CA EE 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000026E9FF05A20, 16 bytes long.
Data: < n > D0 CA EE 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000026E9FF063D0, 16 bytes long.
Data: < n > A8 CA EE 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000026E9FF066A0, 16 bytes long.
Data: < n > 80 CA EE 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000026E9FF064C0, 16 bytes long.
Data: <X n > 58 CA EE 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026E9FF01400, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x0000026E9FF060B0, 16 bytes long.
Data: <0 n > 30 CA EE 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026E9FEECA30, 320 bytes long.
Data: < ` n n > B0 60 F0 9F 6E 02 00 00 00 14 F0 9F 6E 02 00 00
{280} normal block at 0x0000026E9FF05B10, 16 bytes long.
Data: < i n > A0 69 F0 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000026E9FF062E0, 16 bytes long.
Data: <xi n > 78 69 F0 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026E9FF01460, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x0000026E9FF06380, 16 bytes long.
Data: <Pi n > 50 69 F0 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000026E9FF013A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000026E9FF05B60, 16 bytes long.
Data: < h n > 98 68 F0 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000026E9FF05CF0, 16 bytes long.
Data: <ph n > 70 68 F0 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026E9FF06060, 16 bytes long.
Data: <Hh n > 48 68 F0 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000026E9FF06330, 16 bytes long.
Data: < h n > 20 68 F0 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000026E9FF057F0, 16 bytes long.
Data: < g n > F8 67 F0 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000026E9FF06650, 16 bytes long.
Data: < g n > D0 67 F0 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000026E9FF057A0, 16 bytes long.
Data: < L n > 00 4C F0 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000026E9FF04C00, 40 bytes long.
Data: < W n n > A0 57 F0 9F 6E 02 00 00 20 FA EE 9F 6E 02 00 00
{266} normal block at 0x0000026E9FF066F0, 16 bytes long.
Data: < g n > B0 67 F0 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000026E9FF061F0, 16 bytes long.
Data: < g n > 88 67 F0 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000026E9FF01340, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x0000026E9FF059D0, 16 bytes long.
Data: <`g n > 60 67 F0 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000026E9FF06760, 992 bytes long.
Data: < Y n @ n > D0 59 F0 9F 6E 02 00 00 40 13 F0 9F 6E 02 00 00
{98} normal block at 0x0000026E9FF015E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x0000026E9FF00660, 16 bytes long.
Data: <pL n > 70 4C F0 9F 6E 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000026E9FF04C70, 40 bytes long.
Data: <` n n > 60 06 F0 9F 6E 02 00 00 E0 15 F0 9F 6E 02 00 00
{75} normal block at 0x0000026E9FF002F0, 16 bytes long.
Data: < > 80 EA 04 FF F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000026E9FF00750, 16 bytes long.
Data: <@ > 40 E9 04 FF F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000026E9FF00610, 16 bytes long.
Data: < W > F8 57 01 FF F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000026E9FF00890, 16 bytes long.
Data: < W > D8 57 01 FF F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000026E9FF00110, 16 bytes long.
Data: <P > 50 04 01 FF F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000026E9FF001B0, 16 bytes long.
Data: <0 > 30 04 01 FF F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000026E9FF007F0, 16 bytes long.
Data: < > E0 02 01 FF F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000026E9FEFFA80, 16 bytes long.
Data: < > 10 04 01 FF F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000026E9FF00160, 16 bytes long.
Data: <p > 70 04 01 FF F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000026E9FEFFFD0, 16 bytes long.
Data: < > 18 C0 FF FE F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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