Task 38684119
| Name | test_144-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND4123_0 |
| Workunit | 31625643 |
| Created | 27 Oct 2026, 14:47:34 UTC |
| Sent | 27 Oct 2026, 14:47:42 UTC |
| Report deadline | 1 Nov 2026, 14:47:42 UTC |
| Received | 27 Oct 2026, 15:51:01 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 639329 |
| Run time | 52 min 57 sec |
| CPU time | 49 min 27 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,534.80 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 700.39 MB |
| Peak swap size | 9.74 GB |
| Peak disk usage | 3.44 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:49:21 (15260): wrapper (7.9.26016): starting
15:49:21 (15260): 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
15:49:22 (15260): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:49:22 (15260): 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 'G:\Programme\BOINC\Data\slots\25\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 'G:\Programme\BOINC\Data\slots\25\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.
16:10:34 (27632): wrapper (7.9.26016): starting
16:10:34 (27632): 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 "G:\Programme\BOINC\Data\slots\25\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: Exiting with failure status due to previous errors
16:50:36 (27632): C:/Windows/system32/cmd.exe exited; CPU time 2309.734375
16:50:36 (27632): called boinc_finish(0)
0 bytes in 0 Free Blocks.
476 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: 41238640 bytes.
Dumping objects ->
{1964} normal block at 0x000002416187E920, 64 bytes long.
Data: <PATH=G:\Programm> 50 41 54 48 3D 47 3A 5C 50 72 6F 67 72 61 6D 6D
{1953} normal block at 0x0000024161894AD0, 48 bytes long.
Data: <HOME=G:\Programm> 48 4F 4D 45 3D 47 3A 5C 50 72 6F 67 72 61 6D 6D
{1942} normal block at 0x0000024161894910, 48 bytes long.
Data: <TMP=G:\Programme> 54 4D 50 3D 47 3A 5C 50 72 6F 67 72 61 6D 6D 65
{1931} normal block at 0x0000024161894670, 48 bytes long.
Data: <TEMP=G:\Programm> 54 45 4D 50 3D 47 3A 5C 50 72 6F 67 72 61 6D 6D
{1920} normal block at 0x0000024161894B40, 48 bytes long.
Data: <TMPDIR=G:\Progra> 54 4D 50 44 49 52 3D 47 3A 5C 50 72 6F 67 72 61
{1889} normal block at 0x000002416187EEB0, 64 bytes long.
Data: <PATH=G:\Programm> 50 41 54 48 3D 47 3A 5C 50 72 6F 67 72 61 6D 6D
{1878} normal block at 0x000002416187C190, 102 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) : {1875} normal block at 0x0000024161895FC0, 8 bytes long.
Data: < aA > 00 00 D9 61 41 02 00 00
{1066} normal block at 0x000002416187E870, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{305} normal block at 0x0000024161895110, 8 bytes long.
Data: < d aA > A0 64 89 61 41 02 00 00
{296} normal block at 0x0000024161885CC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x00000241618950C0, 16 bytes long.
Data: < c aA > A8 63 89 61 41 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000024161895A20, 16 bytes long.
Data: < c aA > 80 63 89 61 41 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024161890300, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x0000024161895DE0, 16 bytes long.
Data: <Xc aA > 58 63 89 61 41 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024161895D90, 16 bytes long.
Data: <0c aA > 30 63 89 61 41 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000241618956B0, 16 bytes long.
Data: < c aA > 08 63 89 61 41 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024161895D40, 16 bytes long.
Data: < b aA > E0 62 89 61 41 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024161894750, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x00000241618959D0, 16 bytes long.
Data: <8 aA > 38 8F 88 61 41 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002416188FCA0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x0000024161895340, 16 bytes long.
Data: < aA > 10 8F 88 61 41 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024161895F20, 16 bytes long.
Data: < aA > E8 8E 88 61 41 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000241618957A0, 16 bytes long.
Data: < aA > C0 8E 88 61 41 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024161895610, 16 bytes long.
Data: < aA > 98 8E 88 61 41 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000241618955C0, 16 bytes long.
Data: <p aA > 70 8E 88 61 41 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024161895200, 16 bytes long.
Data: <H aA > 48 8E 88 61 41 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002416188FAC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x0000024161895CA0, 16 bytes long.
Data: < aA > 20 8E 88 61 41 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024161888E20, 320 bytes long.
Data: < \ aA aA > A0 5C 89 61 41 02 00 00 C0 FA 88 61 41 02 00 00
{275} normal block at 0x0000024161895480, 16 bytes long.
Data: < b aA > C0 62 89 61 41 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024161895ED0, 16 bytes long.
Data: < b aA > 98 62 89 61 41 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002416188FF40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x00000241618952F0, 16 bytes long.
Data: <pb aA > 70 62 89 61 41 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000241618902A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x0000024161895CF0, 16 bytes long.
Data: < a aA > B8 61 89 61 41 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024161895570, 16 bytes long.
Data: < a aA > 90 61 89 61 41 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024161895C50, 16 bytes long.
Data: <ha aA > 68 61 89 61 41 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024161895930, 16 bytes long.
Data: <@a aA > 40 61 89 61 41 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000241618954D0, 16 bytes long.
Data: < a aA > 18 61 89 61 41 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024161895C00, 16 bytes long.
Data: < ` aA > F0 60 89 61 41 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024161895890, 16 bytes long.
Data: < H aA > A0 48 89 61 41 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000241618948A0, 40 bytes long.
Data: < X aA aA > 90 58 89 61 41 02 00 00 B0 EE 87 61 41 02 00 00
{261} normal block at 0x00000241618953E0, 16 bytes long.
Data: < ` aA > D0 60 89 61 41 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000024161895BB0, 16 bytes long.
Data: < ` aA > A8 60 89 61 41 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000024161890240, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x0000024161895E30, 16 bytes long.
Data: < ` aA > 80 60 89 61 41 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000024161896080, 992 bytes long.
Data: <0^ aA @ aA > 30 5E 89 61 41 02 00 00 40 02 89 61 41 02 00 00
{93} normal block at 0x000002416188FD60, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000002416188EB60, 16 bytes long.
Data: < aA > 20 C1 87 61 41 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000002416187C120, 40 bytes long.
Data: <` aA ` aA > 60 EB 88 61 41 02 00 00 60 FD 88 61 41 02 00 00
{70} normal block at 0x000002416188EE80, 16 bytes long.
Data: < ? > 80 EA 97 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002416188EE30, 16 bytes long.
Data: <@ ? > 40 E9 97 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002416188E5C0, 16 bytes long.
Data: < W ? > F8 57 94 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002416188F290, 16 bytes long.
Data: < W ? > D8 57 94 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002416188F100, 16 bytes long.
Data: <P ? > 50 04 94 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002416188F240, 16 bytes long.
Data: <0 ? > 30 04 94 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002416188F4C0, 16 bytes long.
Data: < ? > E0 02 94 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002416188F470, 16 bytes long.
Data: < ? > 10 04 94 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002416188EF70, 16 bytes long.
Data: <p ? > 70 04 94 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002416188ED40, 16 bytes long.
Data: < ? > 18 C0 92 3F F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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