Task 38688703
| Name | test_959-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND7930_0 |
| Workunit | 31630027 |
| Created | 28 Oct 2026, 15:41:10 UTC |
| Sent | 28 Oct 2026, 15:41:18 UTC |
| Report deadline | 2 Nov 2026, 15:41:18 UTC |
| Received | 28 Oct 2026, 17:04:49 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 613730 |
| Run time | 29 min 25 sec |
| CPU time | 24 min 56 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 58,709.55 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 744.02 MB |
| Peak swap size | 10.02 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:43:39 (37308): wrapper (7.9.26016): starting
16:43:39 (37308): 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
16:43:40 (37308): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:43:40 (37308): 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) : {3835628} normal block at 0x000002254800FE40, 8 bytes long.
Data: < RH% > 00 00 52 48 25 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833971} normal block at 0x0000022549D55F70, 1080 bytes long.
Data: <8 \ > 38 81 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002254800B7F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:56:49 (31924): wrapper (7.9.26016): starting
17:56:49 (31924): 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
18:02:42 (31924): C:/Windows/system32/cmd.exe exited; CPU time 282.828125
18:02:42 (31924): 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: 7685162 bytes.
Dumping objects ->
{2053} normal block at 0x00000229052A3B40, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{2042} normal block at 0x00000229052A3BB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{2031} normal block at 0x00000229052A3DE0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{2020} normal block at 0x00000229052A3E50, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{2009} normal block at 0x00000229052A3D00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1978} normal block at 0x0000022905293210, 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) : {1965} normal block at 0x00000229052A83E0, 8 bytes long.
Data: < v ) > 00 00 76 05 29 02 00 00
{309} normal block at 0x00000229052A87F0, 8 bytes long.
Data: <P * ) > 50 94 2A 05 29 02 00 00
{300} normal block at 0x00000229052949B0, 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 0x00000229052A8D40, 16 bytes long.
Data: <X * ) > 58 93 2A 05 29 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000229052A8B60, 16 bytes long.
Data: <0 * ) > 30 93 2A 05 29 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000229052A2810, 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 0x00000229052A8C50, 16 bytes long.
Data: < * ) > 08 93 2A 05 29 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000229052A8390, 16 bytes long.
Data: < * ) > E0 92 2A 05 29 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000229052A8340, 16 bytes long.
Data: < * ) > B8 92 2A 05 29 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000229052A8FC0, 16 bytes long.
Data: < * ) > 90 92 2A 05 29 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000229052A3A60, 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 0x00000229052A82F0, 16 bytes long.
Data: <X ( ) > 58 E3 28 05 29 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000229052A28D0, 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 0x00000229052A82A0, 16 bytes long.
Data: <0 ( ) > 30 E3 28 05 29 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000229052A8430, 16 bytes long.
Data: < ( ) > 08 E3 28 05 29 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000229052A8E30, 16 bytes long.
Data: < ( ) > E0 E2 28 05 29 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000229052A8750, 16 bytes long.
Data: < ( ) > B8 E2 28 05 29 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000229052A8570, 16 bytes long.
Data: < ( ) > 90 E2 28 05 29 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000229052A8A20, 16 bytes long.
Data: <h ( ) > 68 E2 28 05 29 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000229052A22D0, 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 0x00000229052A8ED0, 16 bytes long.
Data: <@ ( ) > 40 E2 28 05 29 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002290528E240, 320 bytes long.
Data: < * ) "* ) > D0 8E 2A 05 29 02 00 00 D0 22 2A 05 29 02 00 00
{279} normal block at 0x00000229052A8520, 16 bytes long.
Data: <p * ) > 70 92 2A 05 29 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000229052A8250, 16 bytes long.
Data: <H * ) > 48 92 2A 05 29 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000229052A1DF0, 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 0x00000229052A89D0, 16 bytes long.
Data: < * ) > 20 92 2A 05 29 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000229052A2210, 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 0x00000229052A8110, 16 bytes long.
Data: <h * ) > 68 91 2A 05 29 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000229052A8F70, 16 bytes long.
Data: <@ * ) > 40 91 2A 05 29 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000229052A8C00, 16 bytes long.
Data: < * ) > 18 91 2A 05 29 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000229052A8AC0, 16 bytes long.
Data: < * ) > F0 90 2A 05 29 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000229052A8610, 16 bytes long.
Data: < * ) > C8 90 2A 05 29 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000229052A8160, 16 bytes long.
Data: < * ) > A0 90 2A 05 29 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000229052A8CF0, 16 bytes long.
Data: < @* ) > F0 40 2A 05 29 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000229052A40F0, 40 bytes long.
Data: < * ) 2) ) > F0 8C 2A 05 29 02 00 00 10 32 29 05 29 02 00 00
{265} normal block at 0x00000229052A80C0, 16 bytes long.
Data: < * ) > 80 90 2A 05 29 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000229052A8E80, 16 bytes long.
Data: <X * ) > 58 90 2A 05 29 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000229052A1D30, 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 0x00000229052A8B10, 16 bytes long.
Data: <0 * ) > 30 90 2A 05 29 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000229052A9030, 992 bytes long.
Data: < * ) 0 * ) > 10 8B 2A 05 29 02 00 00 30 1D 2A 05 29 02 00 00
{97} normal block at 0x00000229052A27B0, 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 0x00000229052A02C0, 16 bytes long.
Data: < <* ) > 90 3C 2A 05 29 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x00000229052A3C90, 40 bytes long.
Data: < * ) '* ) > C0 02 2A 05 29 02 00 00 B0 27 2A 05 29 02 00 00
{74} normal block at 0x00000229052A0BD0, 16 bytes long.
Data: < 2 > 80 EA 32 BD F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002290529FFF0, 16 bytes long.
Data: <@ 2 > 40 E9 32 BD F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000229052A01D0, 16 bytes long.
Data: < W/ > F8 57 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000229052A0C70, 16 bytes long.
Data: < W/ > D8 57 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002290529FFA0, 16 bytes long.
Data: <P / > 50 04 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002290529FEB0, 16 bytes long.
Data: <0 / > 30 04 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000229052A0A40, 16 bytes long.
Data: < / > E0 02 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000229052A0130, 16 bytes long.
Data: < / > 10 04 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000229052A0680, 16 bytes long.
Data: <p / > 70 04 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000229052A09F0, 16 bytes long.
Data: < - > 18 C0 2D BD F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra