Task 38668249
| Name | test_616-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND2206_0 |
| Workunit | 31610797 |
| Created | 25 Oct 2026, 11:11:05 UTC |
| Sent | 25 Oct 2026, 11:11:09 UTC |
| Report deadline | 30 Oct 2026, 11:11:09 UTC |
| Received | 25 Oct 2026, 12:17:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 607579 |
| Run time | 27 min 23 sec |
| CPU time | 25 min 33 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 21,377.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 727.46 MB |
| Peak swap size | 9.93 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:31:40 (20528): wrapper (7.9.26016): starting
12:31:40 (20528): 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
12:31:41 (20528): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:31:41 (20528): 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\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 'C:\ProgramData\BOINC\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835481} normal block at 0x00000224380FFDF0, 8 bytes long.
Data: < 8$ > 00 00 09 38 24 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x00000224381DE5E0, 1080 bytes long.
Data: < 0 4 > E4 30 00 00 CD CD CD CD 34 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000022438101410, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:05:37 (47716): wrapper (7.9.26016): starting
13:05:37 (47716): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
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
13:17:30 (47716): C:/Windows/system32/cmd.exe exited; CPU time 683.296875
13:17:30 (47716): 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: 16688656 bytes.
Dumping objects ->
{1911} normal block at 0x0000021ECD6C4E10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1900} normal block at 0x0000021ECD6C5190, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1889} normal block at 0x0000021ECD6C4DA0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1878} normal block at 0x0000021ECD6C4C50, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1867} normal block at 0x0000021ECD6C4BE0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1836} normal block at 0x0000021ECD6B9460, 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) : {1823} normal block at 0x0000021ECD6C6550, 8 bytes long.
Data: < d > 00 00 64 CD 1E 02 00 00
{309} normal block at 0x0000021ECD6C5D80, 8 bytes long.
Data: < ll > B0 6C 6C CD 1E 02 00 00
{300} normal block at 0x0000021ECD6B6620, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x0000021ECD6C5D30, 16 bytes long.
Data: < kl > B8 6B 6C CD 1E 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000021ECD6C5CE0, 16 bytes long.
Data: < kl > 90 6B 6C CD 1E 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000021ECD6BE230, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x0000021ECD6C5BF0, 16 bytes long.
Data: <hkl > 68 6B 6C CD 1E 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000021ECD6C60F0, 16 bytes long.
Data: <@kl > 40 6B 6C CD 1E 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000021ECD6C5BA0, 16 bytes long.
Data: < kl > 18 6B 6C CD 1E 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000021ECD6C5B00, 16 bytes long.
Data: < jl > F0 6A 6C CD 1E 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000021ECD6C5040, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x0000021ECD6C62D0, 16 bytes long.
Data: <X j > 58 F6 6A CD 1E 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000021ECD6BD570, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x0000021ECD6C5EC0, 16 bytes long.
Data: <0 j > 30 F6 6A CD 1E 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000021ECD6C6730, 16 bytes long.
Data: < j > 08 F6 6A CD 1E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000021ECD6C6460, 16 bytes long.
Data: < j > E0 F5 6A CD 1E 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000021ECD6C5FB0, 16 bytes long.
Data: < j > B8 F5 6A CD 1E 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000021ECD6C6410, 16 bytes long.
Data: < j > 90 F5 6A CD 1E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021ECD6C6780, 16 bytes long.
Data: <h j > 68 F5 6A CD 1E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021ECD6BD630, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x0000021ECD6C5C40, 16 bytes long.
Data: <@ j > 40 F5 6A CD 1E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000021ECD6AF540, 320 bytes long.
Data: <@\l 0 k > 40 5C 6C CD 1E 02 00 00 30 D6 6B CD 1E 02 00 00
{279} normal block at 0x0000021ECD6C5B50, 16 bytes long.
Data: < jl > D0 6A 6C CD 1E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000021ECD6C5A60, 16 bytes long.
Data: < jl > A8 6A 6C CD 1E 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000021ECD6BD750, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x0000021ECD6C67D0, 16 bytes long.
Data: < jl > 80 6A 6C CD 1E 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000021ECD6BD7B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x0000021ECD6C6640, 16 bytes long.
Data: < il > C8 69 6C CD 1E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000021ECD6C5E70, 16 bytes long.
Data: < il > A0 69 6C CD 1E 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000021ECD6C5A10, 16 bytes long.
Data: <xil > 78 69 6C CD 1E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021ECD6C59C0, 16 bytes long.
Data: <Pil > 50 69 6C CD 1E 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000021ECD6C66E0, 16 bytes long.
Data: <(il > 28 69 6C CD 1E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021ECD6C63C0, 16 bytes long.
Data: < il > 00 69 6C CD 1E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000021ECD6C5920, 16 bytes long.
Data: < Ol > D0 4F 6C CD 1E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000021ECD6C4FD0, 40 bytes long.
Data: < Yl ` k > 20 59 6C CD 1E 02 00 00 60 94 6B CD 1E 02 00 00
{265} normal block at 0x0000021ECD6C5C90, 16 bytes long.
Data: < hl > E0 68 6C CD 1E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000021ECD6C6320, 16 bytes long.
Data: < hl > B8 68 6C CD 1E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000021ECD6BD930, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x0000021ECD6C6370, 16 bytes long.
Data: < hl > 90 68 6C CD 1E 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000021ECD6C6890, 992 bytes long.
Data: <pcl 0 k > 70 63 6C CD 1E 02 00 00 30 D9 6B CD 1E 02 00 00
{97} normal block at 0x0000021ECD6BDB70, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x0000021ECD6BF210, 16 bytes long.
Data: < k > 90 EE 6B CD 1E 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000021ECD6BEE90, 40 bytes long.
Data: < k p k > 10 F2 6B CD 1E 02 00 00 70 DB 6B CD 1E 02 00 00
{74} normal block at 0x0000021ECD6BFDF0, 16 bytes long.
Data: < r > 80 EA 72 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000021ECD6BFDA0, 16 bytes long.
Data: <@ r > 40 E9 72 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000021ECD6BFB70, 16 bytes long.
Data: < Wo > F8 57 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000021ECD6BF030, 16 bytes long.
Data: < Wo > D8 57 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000021ECD6BF3F0, 16 bytes long.
Data: <P o > 50 04 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000021ECD6BF4E0, 16 bytes long.
Data: <0 o > 30 04 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000021ECD6BF710, 16 bytes long.
Data: < o > E0 02 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000021ECD6BFEE0, 16 bytes long.
Data: < o > 10 04 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000021ECD6BF170, 16 bytes long.
Data: <p o > 70 04 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000021ECD6BF1C0, 16 bytes long.
Data: < m > 18 C0 6D EA F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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