Task 38679718
| Name | test_430-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND6800_0 |
| Workunit | 31621482 |
| Created | 26 Oct 2026, 21:30:39 UTC |
| Sent | 26 Oct 2026, 21:30:49 UTC |
| Report deadline | 31 Oct 2026, 21:30:49 UTC |
| Received | 27 Oct 2026, 12:36:55 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 609955 |
| Run time | 35 min 20 sec |
| CPU time | 28 min 41 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,590.50 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 754.84 MB |
| Peak swap size | 9.94 GB |
| Peak disk usage | 4.07 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
07:53:08 (38412): wrapper (7.9.26016): starting
07:53:08 (38412): 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
07:53:10 (38412): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:53:10 (38412): 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:\BOINC\slots\18\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:\BOINC\slots\18\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) : {3835489} normal block at 0x000001A84854F700, 8 bytes long.
Data: < PH > 00 00 50 48 A8 01 00 00
..\lib\diagnostics_win.cpp(417) : {3834068} normal block at 0x000001A848554B60, 1080 bytes long.
Data: < > 0C 1A 00 00 CD CD CD CD DC 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001A848547550, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
21:23:30 (29480): wrapper (7.9.26016): starting
21:23:30 (29480): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ D:\BOINC\slots\18\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
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
21:34:41 (29480): C:/Windows/system32/cmd.exe exited; CPU time 641.953125
21:34:41 (29480): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 12960767 bytes.
Dumping objects ->
{1818} normal block at 0x00000211B7375610, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1807} normal block at 0x00000211B7371350, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1796} normal block at 0x00000211B7371890, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{1785} normal block at 0x00000211B7370FF0, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1774} normal block at 0x00000211B7370CF0, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{1743} normal block at 0x00000211B7375140, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1732} normal block at 0x00000211B7375FB0, 140 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) : {1729} normal block at 0x00000211B73768C0, 8 bytes long.
Data: < / > 00 00 2F B7 11 02 00 00
{1007} normal block at 0x00000211B735EED0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{309} normal block at 0x00000211B7376870, 8 bytes long.
Data: < t7 > D0 74 37 B7 11 02 00 00
{300} normal block at 0x00000211B7367EF0, 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 0x00000211B7376230, 16 bytes long.
Data: < s7 > D8 73 37 B7 11 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000211B7376730, 16 bytes long.
Data: < s7 > B0 73 37 B7 11 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000211B7370C30, 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 0x00000211B7376500, 16 bytes long.
Data: < s7 > 88 73 37 B7 11 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000211B73766E0, 16 bytes long.
Data: <`s7 > 60 73 37 B7 11 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000211B73767D0, 16 bytes long.
Data: <8s7 > 38 73 37 B7 11 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000211B7376190, 16 bytes long.
Data: < s7 > 10 73 37 B7 11 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000211B7375530, 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 0x00000211B73760F0, 16 bytes long.
Data: < 5 > D8 BE 35 B7 11 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000211B73719B0, 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 0x00000211B7376370, 16 bytes long.
Data: < 5 > B0 BE 35 B7 11 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000211B7376960, 16 bytes long.
Data: < 5 > 88 BE 35 B7 11 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000211B7376F00, 16 bytes long.
Data: <` 5 > 60 BE 35 B7 11 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000211B7376910, 16 bytes long.
Data: <8 5 > 38 BE 35 B7 11 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000211B7376280, 16 bytes long.
Data: < 5 > 10 BE 35 B7 11 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000211B7376EB0, 16 bytes long.
Data: < 5 > E8 BD 35 B7 11 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000211B7371290, 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 0x00000211B7376CD0, 16 bytes long.
Data: < 5 > C0 BD 35 B7 11 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000211B735BDC0, 320 bytes long.
Data: < l7 7 > D0 6C 37 B7 11 02 00 00 90 12 37 B7 11 02 00 00
{279} normal block at 0x00000211B7376E60, 16 bytes long.
Data: < r7 > F0 72 37 B7 11 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000211B73761E0, 16 bytes long.
Data: < r7 > C8 72 37 B7 11 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000211B7371A10, 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 0x00000211B7376320, 16 bytes long.
Data: < r7 > A0 72 37 B7 11 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000211B7371470, 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 0x00000211B7376E10, 16 bytes long.
Data: < q7 > E8 71 37 B7 11 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000211B7377040, 16 bytes long.
Data: < q7 > C0 71 37 B7 11 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000211B7376140, 16 bytes long.
Data: < q7 > 98 71 37 B7 11 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000211B7376C80, 16 bytes long.
Data: <pq7 > 70 71 37 B7 11 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000211B7376FA0, 16 bytes long.
Data: <Hq7 > 48 71 37 B7 11 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000211B7376780, 16 bytes long.
Data: < q7 > 20 71 37 B7 11 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000211B7376DC0, 16 bytes long.
Data: <`W7 > 60 57 37 B7 11 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000211B7375760, 40 bytes long.
Data: < m7 @Q7 > C0 6D 37 B7 11 02 00 00 40 51 37 B7 11 02 00 00
{265} normal block at 0x00000211B7376FF0, 16 bytes long.
Data: < q7 > 00 71 37 B7 11 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000211B7376A00, 16 bytes long.
Data: < p7 > D8 70 37 B7 11 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000211B7370F90, 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 0x00000211B7376AF0, 16 bytes long.
Data: < p7 > B0 70 37 B7 11 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000211B73770B0, 992 bytes long.
Data: < j7 7 > F0 6A 37 B7 11 02 00 00 90 0F 37 B7 11 02 00 00
{97} normal block at 0x00000211B7371230, 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 0x00000211B736EF80, 16 bytes long.
Data: <P 5 > 50 CB 35 B7 11 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x00000211B735CB50, 40 bytes long.
Data: < 6 0 7 > 80 EF 36 B7 11 02 00 00 30 12 37 B7 11 02 00 00
{72} normal block at 0x00000211B736F2F0, 16 bytes long.
Data: < _ > 80 EA D4 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000211B736EB70, 16 bytes long.
Data: <@ _ > 40 E9 D4 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000211B736F0C0, 16 bytes long.
Data: < W _ > F8 57 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000211B736EF30, 16 bytes long.
Data: < W _ > D8 57 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000211B736ED50, 16 bytes long.
Data: <P _ > 50 04 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000211B736F2A0, 16 bytes long.
Data: <0 _ > 30 04 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000211B736F610, 16 bytes long.
Data: < _ > E0 02 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000211B736F750, 16 bytes long.
Data: < _ > 10 04 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000211B736EEE0, 16 bytes long.
Data: <p _ > 70 04 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000211B736ED00, 16 bytes long.
Data: < _ > 18 C0 CF 5F F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra