Task 38659714
| Name | test_1648-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND0883_0 |
| Workunit | 31603254 |
| Created | 24 Oct 2026, 13:34:35 UTC |
| Sent | 24 Oct 2026, 16:10:07 UTC |
| Report deadline | 29 Oct 2026, 16:10:07 UTC |
| Received | 24 Oct 2026, 22:56:08 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654681 |
| Run time | 23 min 9 sec |
| CPU time | 21 min 54 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 14,564.90 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 721.52 MB |
| Peak swap size | 6.86 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:24:02 (32488): wrapper (7.9.26016): starting
14:24:02 (32488): 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
14:24:03 (32488): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:24:03 (32488): 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 'D:\APPs\BOINC\Data\slots\0\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 'D:\APPs\BOINC\Data\slots\0\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.
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
14:46:30 (32488): C:/Windows/system32/cmd.exe exited; CPU time 1314.140625
14:46:30 (32488): called boinc_finish(0)
0 bytes in 0 Free Blocks.
192 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: 26294623 bytes.
Dumping objects ->
{3835626} normal block at 0x000001BF5EAB8390, 48 bytes long.
Data: <PATH=D:\APPs\BOI> 50 41 54 48 3D 44 3A 5C 41 50 50 73 5C 42 4F 49
{3835615} normal block at 0x000001BF5EB17E00, 32 bytes long.
Data: <HOME=D:\APPs\BOI> 48 4F 4D 45 3D 44 3A 5C 41 50 50 73 5C 42 4F 49
{3835604} normal block at 0x000001BF5EB17C80, 32 bytes long.
Data: <TMP=D:\APPs\BOIN> 54 4D 50 3D 44 3A 5C 41 50 50 73 5C 42 4F 49 4E
{3835593} normal block at 0x000001BF5EB17C20, 32 bytes long.
Data: <TEMP=D:\APPs\BOI> 54 45 4D 50 3D 44 3A 5C 41 50 50 73 5C 42 4F 49
{3835582} normal block at 0x000001BF5C9F5650, 48 bytes long.
Data: <TMPDIR=D:\APPs\B> 54 4D 50 44 49 52 3D 44 3A 5C 41 50 50 73 5C 42
{3835551} normal block at 0x000001BF5C9F5570, 48 bytes long.
Data: <PATH=D:\APPs\BOI> 50 41 54 48 3D 44 3A 5C 41 50 50 73 5C 42 4F 49
..\api\boinc_api.cpp(309) : {3835538} normal block at 0x000001BF5C9EE590, 8 bytes long.
Data: < \ > 00 00 E8 5C BF 01 00 00
{3834065} normal block at 0x000001BF5C9EDFF0, 8 bytes long.
Data: < \ > 10 DF 9D 5C BF 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001BF5C9F1FA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001BF5C9DEBB0, 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 0x000001BF5C9F64B0, 16 bytes long.
Data: <Xq \ > 58 71 9F 5C BF 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001BF5C9F6910, 16 bytes long.
Data: <0q \ > 30 71 9F 5C BF 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001BF5C9EFDD0, 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 0x000001BF5C9F6C80, 16 bytes long.
Data: < q \ > 08 71 9F 5C BF 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001BF5C9F6640, 16 bytes long.
Data: < p \ > E0 70 9F 5C BF 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001BF5C9F6460, 16 bytes long.
Data: < p \ > B8 70 9F 5C BF 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001BF5C9F6870, 16 bytes long.
Data: < p \ > 90 70 9F 5C BF 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001BF5C9F52D0, 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 0x000001BF5C9F67D0, 16 bytes long.
Data: <X \ > 58 FD 9D 5C BF 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001BF5C9F0430, 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 0x000001BF5C9F6550, 16 bytes long.
Data: <0 \ > 30 FD 9D 5C BF 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BF5C9F6BE0, 16 bytes long.
Data: < \ > 08 FD 9D 5C BF 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001BF5C9F6DC0, 16 bytes long.
Data: < \ > E0 FC 9D 5C BF 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BF5C9F65F0, 16 bytes long.
Data: < \ > B8 FC 9D 5C BF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BF5C9F6410, 16 bytes long.
Data: < \ > 90 FC 9D 5C BF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001BF5C9F60A0, 16 bytes long.
Data: <h \ > 68 FC 9D 5C BF 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001BF5C9F01F0, 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 0x000001BF5C9F6D70, 16 bytes long.
Data: <@ \ > 40 FC 9D 5C BF 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BF5C9DFC40, 320 bytes long.
Data: <pm \ \ > 70 6D 9F 5C BF 01 00 00 F0 01 9F 5C BF 01 00 00
{278} normal block at 0x000001BF5C9F6280, 16 bytes long.
Data: <pp \ > 70 70 9F 5C BF 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001BF5C9F65A0, 16 bytes long.
Data: <Hp \ > 48 70 9F 5C BF 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BF5C9EF8F0, 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 0x000001BF5C9F6780, 16 bytes long.
Data: < p \ > 20 70 9F 5C BF 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BF5C9F03D0, 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 0x000001BF5C9F6D20, 16 bytes long.
Data: <ho \ > 68 6F 9F 5C BF 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BF5C9F63C0, 16 bytes long.
Data: <@o \ > 40 6F 9F 5C BF 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001BF5C9F6820, 16 bytes long.
Data: < o \ > 18 6F 9F 5C BF 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001BF5C9F6500, 16 bytes long.
Data: < n \ > F0 6E 9F 5C BF 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BF5C9F61E0, 16 bytes long.
Data: < n \ > C8 6E 9F 5C BF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001BF5C9F6230, 16 bytes long.
Data: < n \ > A0 6E 9F 5C BF 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BF5C9F68C0, 16 bytes long.
Data: < X \ > 80 58 9F 5C BF 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001BF5C9F5880, 40 bytes long.
Data: < h \ pU \ > C0 68 9F 5C BF 01 00 00 70 55 9F 5C BF 01 00 00
{264} normal block at 0x000001BF5C9F6190, 16 bytes long.
Data: < n \ > 80 6E 9F 5C BF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BF5C9F6370, 16 bytes long.
Data: <Xn \ > 58 6E 9F 5C BF 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001BF5C9EFF50, 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 0x000001BF5C9F6320, 16 bytes long.
Data: <0n \ > 30 6E 9F 5C BF 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001BF5C9F6E30, 992 bytes long.
Data: < c \ P \ > 20 63 9F 5C BF 01 00 00 50 FF 9E 5C BF 01 00 00
{96} normal block at 0x000001BF5C9EFE90, 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 0x000001BF5C9ED910, 16 bytes long.
Data: < V \ > C0 56 9F 5C BF 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001BF5C9F56C0, 40 bytes long.
Data: < \ \ > 10 D9 9E 5C BF 01 00 00 90 FE 9E 5C BF 01 00 00
{71} normal block at 0x000001BF5C9EDDC0, 16 bytes long.
Data: < 0 > 80 EA 30 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001BF5C9EE090, 16 bytes long.
Data: <@ 0 > 40 E9 30 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001BF5C9EE180, 16 bytes long.
Data: < W- > F8 57 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001BF5C9EE540, 16 bytes long.
Data: < W- > D8 57 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001BF5C9EE040, 16 bytes long.
Data: <P - > 50 04 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001BF5C9EDF50, 16 bytes long.
Data: <0 - > 30 04 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BF5C9EE130, 16 bytes long.
Data: < - > E0 02 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001BF5C9EE4A0, 16 bytes long.
Data: < - > 10 04 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001BF5C9EE450, 16 bytes long.
Data: <p - > 70 04 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001BF5C9EDAF0, 16 bytes long.
Data: < + > 18 C0 2B 20 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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