Task 38672652
| Name | test_493-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND9048_0 |
| Workunit | 31614779 |
| Created | 26 Oct 2026, 0:03:24 UTC |
| Sent | 26 Oct 2026, 0:03:29 UTC |
| Report deadline | 31 Oct 2026, 0:03:29 UTC |
| Received | 26 Oct 2026, 9:07:37 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 606178 |
| Run time | 30 min 17 sec |
| CPU time | 28 min 48 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,200.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 680.73 MB |
| Peak swap size | 6.87 GB |
| Peak disk usage | 4.16 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
01:04:43 (22448): wrapper (7.9.26016): starting
01:04:43 (22448): 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
01:04:44 (22448): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:04:44 (22448): 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) : {3835174} normal block at 0x0000022AAA73F3F0, 8 bytes long.
Data: < * > 00 00 C2 AA 2A 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x0000022AAC40E5D0, 1080 bytes long.
Data: < L \ > 10 4C 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000022AAA742EA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:41:11 (27112): wrapper (7.9.26016): starting
09:41:11 (27112): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\0\tmp existe d‚j….
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
10:06:44 (27112): C:/Windows/system32/cmd.exe exited; CPU time 1520.156250
10:06:44 (27112): 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: 30672088 bytes.
Dumping objects ->
{1604} normal block at 0x000001CF120E5AB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1593} normal block at 0x000001CF120E5B20, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1582} normal block at 0x000001CF120E5B90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1571} normal block at 0x000001CF120E5F80, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1560} normal block at 0x000001CF120E58F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1529} normal block at 0x000001CF120DA900, 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) : {1516} normal block at 0x000001CF120E7840, 8 bytes long.
Data: < > 00 00 09 12 CF 01 00 00
{309} normal block at 0x000001CF120E77A0, 8 bytes long.
Data: < > B0 88 0E 12 CF 01 00 00
{300} normal block at 0x000001CF120D8430, 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 0x000001CF120E8010, 16 bytes long.
Data: < > B8 87 0E 12 CF 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001CF120E8150, 16 bytes long.
Data: < > 90 87 0E 12 CF 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001CF120E2710, 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 0x000001CF120E7520, 16 bytes long.
Data: <h > 68 87 0E 12 CF 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001CF120E7FC0, 16 bytes long.
Data: <@ > 40 87 0E 12 CF 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001CF120E80B0, 16 bytes long.
Data: < > 18 87 0E 12 CF 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001CF120E7B10, 16 bytes long.
Data: < > F0 86 0E 12 CF 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001CF120E5C70, 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 0x000001CF120E7F70, 16 bytes long.
Data: < > A8 04 0D 12 CF 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001CF120E1BD0, 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 0x000001CF120E8380, 16 bytes long.
Data: < > 80 04 0D 12 CF 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001CF120E77F0, 16 bytes long.
Data: <X > 58 04 0D 12 CF 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001CF120E8330, 16 bytes long.
Data: <0 > 30 04 0D 12 CF 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001CF120E7F20, 16 bytes long.
Data: < > 08 04 0D 12 CF 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001CF120E79D0, 16 bytes long.
Data: < > E0 03 0D 12 CF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001CF120E82E0, 16 bytes long.
Data: < > B8 03 0D 12 CF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CF120E27D0, 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 0x000001CF120E7ED0, 16 bytes long.
Data: < > 90 03 0D 12 CF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CF120D0390, 320 bytes long.
Data: < ~ ' > D0 7E 0E 12 CF 01 00 00 D0 27 0E 12 CF 01 00 00
{279} normal block at 0x000001CF120E78E0, 16 bytes long.
Data: < > D0 86 0E 12 CF 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001CF120E8100, 16 bytes long.
Data: < > A8 86 0E 12 CF 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001CF120E2650, 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 0x000001CF120E7E30, 16 bytes long.
Data: < > 80 86 0E 12 CF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001CF120E2050, 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 0x000001CF120E7CA0, 16 bytes long.
Data: < > C8 85 0E 12 CF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001CF120E74D0, 16 bytes long.
Data: < > A0 85 0E 12 CF 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001CF120E81F0, 16 bytes long.
Data: <x > 78 85 0E 12 CF 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001CF120E8290, 16 bytes long.
Data: <P > 50 85 0E 12 CF 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001CF120E8240, 16 bytes long.
Data: <( > 28 85 0E 12 CF 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001CF120E81A0, 16 bytes long.
Data: < > 00 85 0E 12 CF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001CF120E7E80, 16 bytes long.
Data: < _ > 10 5F 0E 12 CF 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CF120E5F10, 40 bytes long.
Data: < ~ > 80 7E 0E 12 CF 01 00 00 00 A9 0D 12 CF 01 00 00
{265} normal block at 0x000001CF120E7AC0, 16 bytes long.
Data: < > E0 84 0E 12 CF 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001CF120E7A70, 16 bytes long.
Data: < > B8 84 0E 12 CF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001CF120E1AB0, 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 0x000001CF120E7D40, 16 bytes long.
Data: < > 90 84 0E 12 CF 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001CF120E8490, 992 bytes long.
Data: <@} > 40 7D 0E 12 CF 01 00 00 B0 1A 0E 12 CF 01 00 00
{97} normal block at 0x000001CF120E22F0, 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 0x000001CF120DF490, 16 bytes long.
Data: <`Y > 60 59 0E 12 CF 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001CF120E5960, 40 bytes long.
Data: < " > 90 F4 0D 12 CF 01 00 00 F0 22 0E 12 CF 01 00 00
{74} normal block at 0x000001CF120E02A0, 16 bytes long.
Data: < > 80 EA FE C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001CF120DFA80, 16 bytes long.
Data: <@ > 40 E9 FE C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001CF120DFD00, 16 bytes long.
Data: < W > F8 57 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001CF120DFD50, 16 bytes long.
Data: < W > D8 57 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001CF120DF3A0, 16 bytes long.
Data: <P > 50 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001CF120DFC60, 16 bytes long.
Data: <0 > 30 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001CF120DF5D0, 16 bytes long.
Data: < > E0 02 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001CF120DFCB0, 16 bytes long.
Data: < > 10 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001CF120DF800, 16 bytes long.
Data: <p > 70 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001CF120DF4E0, 16 bytes long.
Data: < > 18 C0 F9 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra