Task 38685455
| Name | test_539-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND8757_0 |
| Workunit | 31626921 |
| Created | 27 Oct 2026, 21:07:04 UTC |
| Sent | 27 Oct 2026, 21:07:12 UTC |
| Report deadline | 1 Nov 2026, 21:07:12 UTC |
| Received | 28 Oct 2026, 6:55:32 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 639329 |
| Run time | 50 min 51 sec |
| CPU time | 47 min 44 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 | 709.85 MB |
| Peak swap size | 9.74 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:08:48 (23380): wrapper (7.9.26016): starting
22:08:48 (23380): 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
22:08:49 (23380): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:08:49 (23380): 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.
07:07:19 (24464): wrapper (7.9.26016): starting
07:07:19 (24464): 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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
07:55:07 (24464): C:/Windows/system32/cmd.exe exited; CPU time 2787.250000
07:55:07 (24464): 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: 51798038 bytes.
Dumping objects ->
{1964} normal block at 0x0000028C4ABDB5E0, 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 0x0000028C4ABF4760, 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 0x0000028C4ABF45A0, 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 0x0000028C4ABF44C0, 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 0x0000028C4ABF4610, 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 0x0000028C4ABDB560, 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 0x0000028C4ABDEEC0, 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 0x0000028C4ABF4A20, 8 bytes long.
Data: < K > 00 00 10 4B 8C 02 00 00
{1066} normal block at 0x0000028C4ABDC120, 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 0x0000028C4ABF4B10, 8 bytes long.
Data: < ^ J > 00 5E BF 4A 8C 02 00 00
{296} normal block at 0x0000028C4ABE5500, 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 0x0000028C4ABF5920, 16 bytes long.
Data: < ] J > 08 5D BF 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000028C4ABF4C00, 16 bytes long.
Data: < \ J > E0 5C BF 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000028C4ABEFBB0, 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 0x0000028C4ABF58D0, 16 bytes long.
Data: < \ J > B8 5C BF 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000028C4ABF53D0, 16 bytes long.
Data: < \ J > 90 5C BF 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000028C4ABF51A0, 16 bytes long.
Data: <h\ J > 68 5C BF 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000028C4ABF5830, 16 bytes long.
Data: <@\ J > 40 5C BF 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000028C4ABF41B0, 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 0x0000028C4ABF4CF0, 16 bytes long.
Data: <h J > 68 86 BE 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000028C4ABEF4F0, 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 0x0000028C4ABF57E0, 16 bytes long.
Data: <@ J > 40 86 BE 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000028C4ABF5790, 16 bytes long.
Data: < J > 18 86 BE 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000028C4ABF5650, 16 bytes long.
Data: < J > F0 85 BE 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000028C4ABF5880, 16 bytes long.
Data: < J > C8 85 BE 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000028C4ABF4CA0, 16 bytes long.
Data: < J > A0 85 BE 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000028C4ABF5560, 16 bytes long.
Data: <x J > 78 85 BE 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000028C4ABEFA90, 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 0x0000028C4ABF5150, 16 bytes long.
Data: <P J > 50 85 BE 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000028C4ABE8550, 320 bytes long.
Data: <PQ J J > 50 51 BF 4A 8C 02 00 00 90 FA BE 4A 8C 02 00 00
{275} normal block at 0x0000028C4ABF4D90, 16 bytes long.
Data: < \ J > 20 5C BF 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000028C4ABF5100, 16 bytes long.
Data: < [ J > F8 5B BF 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000028C4ABEF490, 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 0x0000028C4ABF5740, 16 bytes long.
Data: < [ J > D0 5B BF 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000028C4ABEF8B0, 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 0x0000028C4ABF5510, 16 bytes long.
Data: < [ J > 18 5B BF 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000028C4ABF54C0, 16 bytes long.
Data: < Z J > F0 5A BF 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000028C4ABF4DE0, 16 bytes long.
Data: < Z J > C8 5A BF 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000028C4ABF5600, 16 bytes long.
Data: < Z J > A0 5A BF 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000028C4ABF56F0, 16 bytes long.
Data: <xZ J > 78 5A BF 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000028C4ABF50B0, 16 bytes long.
Data: <PZ J > 50 5A BF 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000028C4ABF5970, 16 bytes long.
Data: <PD J > 50 44 BF 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000028C4ABF4450, 40 bytes long.
Data: <pY J ` J > 70 59 BF 4A 8C 02 00 00 60 B5 BD 4A 8C 02 00 00
{261} normal block at 0x0000028C4ABF5420, 16 bytes long.
Data: <0Z J > 30 5A BF 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000028C4ABF5060, 16 bytes long.
Data: < Z J > 08 5A BF 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000028C4ABEF2B0, 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 0x0000028C4ABF56A0, 16 bytes long.
Data: < Y J > E0 59 BF 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000028C4ABF59E0, 992 bytes long.
Data: < V J J > A0 56 BF 4A 8C 02 00 00 B0 F2 BE 4A 8C 02 00 00
{93} normal block at 0x0000028C4ABEF610, 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 0x0000028C4ABEE9C0, 16 bytes long.
Data: <P J > 50 EE BD 4A 8C 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000028C4ABDEE50, 40 bytes long.
Data: < J J > C0 E9 BE 4A 8C 02 00 00 10 F6 BE 4A 8C 02 00 00
{70} normal block at 0x0000028C4ABEE920, 16 bytes long.
Data: < > 80 EA EF 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000028C4ABEE4C0, 16 bytes long.
Data: <@ > 40 E9 EF 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000028C4ABEE7E0, 16 bytes long.
Data: < W > F8 57 EC 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000028C4ABEE330, 16 bytes long.
Data: < W > D8 57 EC 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000028C4ABEE470, 16 bytes long.
Data: <P > 50 04 EC 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000028C4ABEE3D0, 16 bytes long.
Data: <0 > 30 04 EC 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000028C4ABEDFC0, 16 bytes long.
Data: < > E0 02 EC 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000028C4ABEEB00, 16 bytes long.
Data: < > 10 04 EC 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000028C4ABEE150, 16 bytes long.
Data: <p > 70 04 EC 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000028C4ABEEA60, 16 bytes long.
Data: < > 18 C0 EA 0A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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