Task 38700017
| Name | test_567-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND2937_0 |
| Workunit | 31640356 |
| Created | 6 Nov 2026, 13:45:54 UTC |
| Sent | 6 Nov 2026, 13:45:58 UTC |
| Report deadline | 11 Nov 2026, 13:45:58 UTC |
| Received | 7 Nov 2026, 7:58:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 603627 |
| Run time | 2 hours 1 min 46 sec |
| CPU time | 1 hours 59 min 4 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 1,898.61 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 665.52 MB |
| Peak swap size | 6.67 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:47:22 (16520): wrapper (7.9.26016): starting
14:47:22 (16520): 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
14:47:23 (16520): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:47:23 (16520): 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\7\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\7\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.
08:24:33 (4036): wrapper (7.9.26016): starting
08:24:33 (4036): 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\7\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
08:57:48 (4036): C:/Windows/system32/cmd.exe exited; CPU time 1956.875000
08:57:48 (4036): 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: 34259500 bytes.
Dumping objects ->
{1612} normal block at 0x000001F9115E5F60, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1601} normal block at 0x000001F9115E5EF0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1590} normal block at 0x000001F9115E5E10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1579} normal block at 0x000001F9115E6270, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1568} normal block at 0x000001F9115E5DA0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1537} normal block at 0x000001F9115D0040, 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) : {1524} normal block at 0x000001F9115E6D50, 8 bytes long.
Data: < > 00 00 A7 11 F9 01 00 00
{313} normal block at 0x000001F9115E77A0, 8 bytes long.
Data: <P ^ > 50 7F 5E 11 F9 01 00 00
{304} normal block at 0x000001F9115D7370, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{303} normal block at 0x000001F9115E6BC0, 16 bytes long.
Data: <X~^ > 58 7E 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001F9115E7980, 16 bytes long.
Data: <0~^ > 30 7E 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001F9115E1400, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{300} normal block at 0x000001F9115E7250, 16 bytes long.
Data: < ~^ > 08 7E 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001F9115E71B0, 16 bytes long.
Data: < }^ > E0 7D 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001F9115E7340, 16 bytes long.
Data: < }^ > B8 7D 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001F9115E70C0, 16 bytes long.
Data: < }^ > 90 7D 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F9115E5D30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{295} normal block at 0x000001F9115E7390, 16 bytes long.
Data: < ^ > 98 08 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F9115E13A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{293} normal block at 0x000001F9115E7110, 16 bytes long.
Data: <p ^ > 70 08 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F9115E7070, 16 bytes long.
Data: <H ^ > 48 08 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F9115E72A0, 16 bytes long.
Data: < ^ > 20 08 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F9115E7750, 16 bytes long.
Data: < ^ > F8 07 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F9115E7020, 16 bytes long.
Data: < ^ > D0 07 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F9115E6F80, 16 bytes long.
Data: < ^ > A8 07 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F9115E1460, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{285} normal block at 0x000001F9115E6F30, 16 bytes long.
Data: < ^ > 80 07 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F9115E0780, 320 bytes long.
Data: <0o^ ` ^ > 30 6F 5E 11 F9 01 00 00 60 14 5E 11 F9 01 00 00
{283} normal block at 0x000001F9115E7480, 16 bytes long.
Data: <p}^ > 70 7D 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F9115E76B0, 16 bytes long.
Data: <H}^ > 48 7D 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F9115E1280, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{280} normal block at 0x000001F9115E79D0, 16 bytes long.
Data: < }^ > 20 7D 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F9115E0D40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{278} normal block at 0x000001F9115E7930, 16 bytes long.
Data: <h|^ > 68 7C 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F9115E7890, 16 bytes long.
Data: <@|^ > 40 7C 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F9115E7A20, 16 bytes long.
Data: < |^ > 18 7C 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F9115E78E0, 16 bytes long.
Data: < {^ > F0 7B 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F9115E6D00, 16 bytes long.
Data: < {^ > C8 7B 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F9115E6CB0, 16 bytes long.
Data: < {^ > A0 7B 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F9115E6FD0, 16 bytes long.
Data: < _^ > D0 5F 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F9115E5FD0, 40 bytes long.
Data: < o^ @ ] > D0 6F 5E 11 F9 01 00 00 40 00 5D 11 F9 01 00 00
{269} normal block at 0x000001F9115E6E90, 16 bytes long.
Data: < {^ > 80 7B 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F9115E6B70, 16 bytes long.
Data: <X{^ > 58 7B 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F9115E1340, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{266} normal block at 0x000001F9115E6E40, 16 bytes long.
Data: <0{^ > 30 7B 5E 11 F9 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F9115E7B30, 992 bytes long.
Data: <@n^ @ ^ > 40 6E 5E 11 F9 01 00 00 40 13 5E 11 F9 01 00 00
{101} normal block at 0x000001F9115E0C20, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{100} normal block at 0x000001F9115DEDE0, 16 bytes long.
Data: < \ > 20 F2 5C 11 F9 01 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x000001F9115CF220, 40 bytes long.
Data: < ] ^ > E0 ED 5D 11 F9 01 00 00 20 0C 5E 11 F9 01 00 00
{78} normal block at 0x000001F9115DE6B0, 16 bytes long.
Data: < 96 > 80 EA 39 36 F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001F9115DEA70, 16 bytes long.
Data: <@ 96 > 40 E9 39 36 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001F9115DE840, 16 bytes long.
Data: < W66 > F8 57 36 36 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001F9115DE200, 16 bytes long.
Data: < W66 > D8 57 36 36 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001F9115DEBB0, 16 bytes long.
Data: <P 66 > 50 04 36 36 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001F9115DE7F0, 16 bytes long.
Data: <0 66 > 30 04 36 36 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001F9115DE390, 16 bytes long.
Data: < 66 > E0 02 36 36 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001F9115DEE80, 16 bytes long.
Data: < 66 > 10 04 36 36 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F9115DED40, 16 bytes long.
Data: <p 66 > 70 04 36 36 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F9115DE660, 16 bytes long.
Data: < 46 > 18 C0 34 36 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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