Task 38680274
| Name | test_738-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND3883_1 |
| Workunit | 31621847 |
| Created | 26 Oct 2026, 23:23:47 UTC |
| Sent | 26 Oct 2026, 23:23:50 UTC |
| Report deadline | 31 Oct 2026, 23:23:50 UTC |
| Received | 27 Oct 2026, 16:03:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653122 |
| Run time | 23 min 49 sec |
| CPU time | 20 min 31 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 | 732.74 MB |
| Peak swap size | 9.98 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:25:32 (38924): wrapper (7.9.26016): starting
00:25:32 (38924): 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
00:25:33 (38924): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:25:33 (38924): 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.
09:08:38 (17056): wrapper (7.9.26016): starting
09:08:38 (17056): 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.
16:59:01 (34316): wrapper (7.9.26016): starting
16:59:01 (34316): 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
17:03:09 (34316): C:/Windows/system32/cmd.exe exited; CPU time 209.734375
17:03:09 (34316): 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: 4880735 bytes.
Dumping objects ->
{1545} normal block at 0x00000202AF505B40, 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 0x00000202AF505C90, 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 0x00000202AF505FA0, 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 0x00000202AF505C20, 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 0x00000202AF505F30, 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 0x00000202AF4EF7B0, 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 0x00000202AF5071A0, 8 bytes long.
Data: < I > 00 00 49 AF 02 02 00 00
{308} normal block at 0x00000202AF506D40, 8 bytes long.
Data: < tP > 90 74 50 AF 02 02 00 00
{299} normal block at 0x00000202AF4EECE0, 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 0x00000202AF506890, 16 bytes long.
Data: < cP > 88 63 50 AF 02 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000202AF506B60, 16 bytes long.
Data: <`cP > 60 63 50 AF 02 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000202AF4FEA50, 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 0x00000202AF506570, 16 bytes long.
Data: <8cP > 38 63 50 AF 02 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000202AF5073D0, 16 bytes long.
Data: < cP > 10 63 50 AF 02 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000202AF506F20, 16 bytes long.
Data: < bP > E8 62 50 AF 02 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000202AF506520, 16 bytes long.
Data: < bP > C0 62 50 AF 02 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000202AF505BB0, 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 0x00000202AF506C00, 16 bytes long.
Data: < O > F8 9B 4F AF 02 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000202AF4FE390, 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 0x00000202AF506700, 16 bytes long.
Data: < O > D0 9B 4F AF 02 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000202AF506930, 16 bytes long.
Data: < O > A8 9B 4F AF 02 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000202AF506B10, 16 bytes long.
Data: < O > 80 9B 4F AF 02 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000202AF507420, 16 bytes long.
Data: <X O > 58 9B 4F AF 02 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000202AF5067F0, 16 bytes long.
Data: <0 O > 30 9B 4F AF 02 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000202AF5066B0, 16 bytes long.
Data: < O > 08 9B 4F AF 02 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000202AF4FE690, 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 0x00000202AF506660, 16 bytes long.
Data: < O > E0 9A 4F AF 02 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000202AF4F9AE0, 320 bytes long.
Data: <`fP O > 60 66 50 AF 02 02 00 00 90 E6 4F AF 02 02 00 00
{278} normal block at 0x00000202AF506CA0, 16 bytes long.
Data: < bP > A0 62 50 AF 02 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000202AF506AC0, 16 bytes long.
Data: <xbP > 78 62 50 AF 02 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000202AF4FEC30, 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 0x00000202AF5068E0, 16 bytes long.
Data: <PbP > 50 62 50 AF 02 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000202AF4FE870, 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 0x00000202AF5070B0, 16 bytes long.
Data: < aP > 98 61 50 AF 02 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000202AF506A70, 16 bytes long.
Data: <paP > 70 61 50 AF 02 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000202AF506DE0, 16 bytes long.
Data: <HaP > 48 61 50 AF 02 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000202AF506840, 16 bytes long.
Data: < aP > 20 61 50 AF 02 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000202AF5069D0, 16 bytes long.
Data: < `P > F8 60 50 AF 02 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000202AF500470, 16 bytes long.
Data: < `P > D0 60 50 AF 02 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000202AF500240, 16 bytes long.
Data: <p]P > 70 5D 50 AF 02 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000202AF505D70, 40 bytes long.
Data: <@ P N > 40 02 50 AF 02 02 00 00 B0 F7 4E AF 02 02 00 00
{264} normal block at 0x00000202AF4FFDE0, 16 bytes long.
Data: < `P > B0 60 50 AF 02 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000202AF4FFCF0, 16 bytes long.
Data: < `P > 88 60 50 AF 02 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000202AF4FE4B0, 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 0x00000202AF5005B0, 16 bytes long.
Data: <``P > 60 60 50 AF 02 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000202AF506060, 992 bytes long.
Data: < P O > B0 05 50 AF 02 02 00 00 B0 E4 4F AF 02 02 00 00
{96} normal block at 0x00000202AF4FE3F0, 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 0x00000202AF4FFBB0, 16 bytes long.
Data: <P^P > 50 5E 50 AF 02 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x00000202AF505E50, 40 bytes long.
Data: < O O > B0 FB 4F AF 02 02 00 00 F0 E3 4F AF 02 02 00 00
{73} normal block at 0x00000202AF500880, 16 bytes long.
Data: < I > 80 EA 94 49 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000202AF500790, 16 bytes long.
Data: <@ I > 40 E9 94 49 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000202AF4FFFC0, 16 bytes long.
Data: < W I > F8 57 91 49 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000202AF500420, 16 bytes long.
Data: < W I > D8 57 91 49 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000202AF5006A0, 16 bytes long.
Data: <P I > 50 04 91 49 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000202AF4FFF70, 16 bytes long.
Data: <0 I > 30 04 91 49 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000202AF4FFCA0, 16 bytes long.
Data: < I > E0 02 91 49 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000202AF4FFED0, 16 bytes long.
Data: < I > 10 04 91 49 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000202AF5002E0, 16 bytes long.
Data: <p I > 70 04 91 49 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000202AF4FF9D0, 16 bytes long.
Data: < I > 18 C0 8F 49 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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