Task 38688750
| Name | test_842-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND3013_0 |
| Workunit | 31630073 |
| Created | 28 Oct 2026, 15:58:37 UTC |
| Sent | 28 Oct 2026, 15:58:40 UTC |
| Report deadline | 2 Nov 2026, 15:58:40 UTC |
| Received | 28 Oct 2026, 22:04:03 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653122 |
| Run time | 28 min 25 sec |
| CPU time | 25 min 3 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 | 711.66 MB |
| Peak swap size | 9.99 GB |
| Peak disk usage | 3.43 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:25:48 (35904): wrapper (7.9.26016): starting
17:25:48 (35904): 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
17:25:49 (35904): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:25:49 (35904): 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\10\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\10\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.
22:40:11 (41544): wrapper (7.9.26016): starting
22:40:11 (41544): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\10\tmp" existiert bereits.
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
23:03:24 (41544): C:/Windows/system32/cmd.exe exited; CPU time 1314.109375
23:03:24 (41544): 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: 27799157 bytes.
Dumping objects ->
{1545} normal block at 0x0000025AA3394860, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1534} normal block at 0x0000025AA3394F60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1523} normal block at 0x0000025AA3394BE0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1512} normal block at 0x0000025AA3394CC0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1501} normal block at 0x0000025AA3394D30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1470} normal block at 0x0000025AA337E7F0, 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) : {1457} normal block at 0x0000025AA3395C60, 8 bytes long.
Data: < 1 Z > 00 00 31 A3 5A 02 00 00
{308} normal block at 0x0000025AA3395B20, 8 bytes long.
Data: < f9 Z > 80 66 39 A3 5A 02 00 00
{299} normal block at 0x0000025AA33867F0, 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 0x0000025AA33958F0, 16 bytes long.
Data: <xU9 Z > 78 55 39 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000025AA3395E90, 16 bytes long.
Data: <PU9 Z > 50 55 39 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000025AA338DEF0, 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 0x0000025AA3395EE0, 16 bytes long.
Data: <(U9 Z > 28 55 39 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000025AA3395990, 16 bytes long.
Data: < U9 Z > 00 55 39 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000025AA3395F30, 16 bytes long.
Data: < T9 Z > D8 54 39 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000025AA3396200, 16 bytes long.
Data: < T9 Z > B0 54 39 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000025AA33948D0, 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 0x0000025AA3396430, 16 bytes long.
Data: < 8 Z > 98 8E 38 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000025AA338DA10, 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 0x0000025AA3395AD0, 16 bytes long.
Data: <p 8 Z > 70 8E 38 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000025AA3395940, 16 bytes long.
Data: <H 8 Z > 48 8E 38 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000025AA33959E0, 16 bytes long.
Data: < 8 Z > 20 8E 38 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000025AA33964D0, 16 bytes long.
Data: < 8 Z > F8 8D 38 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000025AA3395C10, 16 bytes long.
Data: < 8 Z > D0 8D 38 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025AA3395760, 16 bytes long.
Data: < 8 Z > A8 8D 38 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000025AA338CFF0, 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 0x0000025AA33962F0, 16 bytes long.
Data: < 8 Z > 80 8D 38 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000025AA3388D80, 320 bytes long.
Data: < b9 Z 8 Z > F0 62 39 A3 5A 02 00 00 F0 CF 38 A3 5A 02 00 00
{278} normal block at 0x0000025AA33962A0, 16 bytes long.
Data: < T9 Z > 90 54 39 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000025AA3395CB0, 16 bytes long.
Data: <hT9 Z > 68 54 39 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000025AA338D2F0, 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 0x0000025AA3395850, 16 bytes long.
Data: <@T9 Z > 40 54 39 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000025AA338D350, 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 0x0000025AA3395710, 16 bytes long.
Data: < S9 Z > 88 53 39 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000025AA3395BC0, 16 bytes long.
Data: <`S9 Z > 60 53 39 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000025AA33958A0, 16 bytes long.
Data: <8S9 Z > 38 53 39 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000025AA3395A80, 16 bytes long.
Data: < S9 Z > 10 53 39 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000025AA3395A30, 16 bytes long.
Data: < R9 Z > E8 52 39 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025AA338F480, 16 bytes long.
Data: < R9 Z > C0 52 39 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025AA338EA80, 16 bytes long.
Data: < I9 Z > B0 49 39 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000025AA33949B0, 40 bytes long.
Data: < 8 Z 7 Z > 80 EA 38 A3 5A 02 00 00 F0 E7 37 A3 5A 02 00 00
{264} normal block at 0x0000025AA338EA30, 16 bytes long.
Data: < R9 Z > A0 52 39 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000025AA338F430, 16 bytes long.
Data: <xR9 Z > 78 52 39 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000025AA338D290, 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 0x0000025AA338F3E0, 16 bytes long.
Data: <PR9 Z > 50 52 39 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000025AA3395250, 992 bytes long.
Data: < 8 Z 8 Z > E0 F3 38 A3 5A 02 00 00 90 D2 38 A3 5A 02 00 00
{96} normal block at 0x0000025AA338D710, 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 0x0000025AA338EFD0, 16 bytes long.
Data: < N9 Z > F0 4E 39 A3 5A 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000025AA3394EF0, 40 bytes long.
Data: < 8 Z 8 Z > D0 EF 38 A3 5A 02 00 00 10 D7 38 A3 5A 02 00 00
{73} normal block at 0x0000025AA338EDF0, 16 bytes long.
Data: < L > 80 EA DB 4C F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000025AA338EF30, 16 bytes long.
Data: <@ L > 40 E9 DB 4C F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000025AA338EB70, 16 bytes long.
Data: < W L > F8 57 D8 4C F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000025AA338F700, 16 bytes long.
Data: < W L > D8 57 D8 4C F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000025AA338F6B0, 16 bytes long.
Data: <P L > 50 04 D8 4C F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000025AA338F250, 16 bytes long.
Data: <0 L > 30 04 D8 4C F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000025AA338F660, 16 bytes long.
Data: < L > E0 02 D8 4C F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000025AA338EDA0, 16 bytes long.
Data: < L > 10 04 D8 4C F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000025AA338F5C0, 16 bytes long.
Data: <p L > 70 04 D8 4C F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000025AA338F020, 16 bytes long.
Data: < L > 18 C0 D6 4C F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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