Task 38666138
| Name | test_979-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND5473_0 |
| Workunit | 31609158 |
| Created | 25 Oct 2026, 2:06:53 UTC |
| Sent | 25 Oct 2026, 4:19:40 UTC |
| Report deadline | 30 Oct 2026, 4:19:40 UTC |
| Received | 25 Oct 2026, 12:28:29 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 616957 |
| Run time | 3 hours 55 min 13 sec |
| CPU time | 3 hours 55 min 2 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 19,295.78 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 737.20 MB |
| Peak swap size | 8.40 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:19:58 (18492): wrapper (7.9.26016): starting
09:19:58 (18492): 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
09:19:59 (18492): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:19:59 (18492): 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) : {3835178} normal block at 0x000001DD87660360, 8 bytes long.
Data: < > 00 00 CF 87 DD 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833962} normal block at 0x000001DD8768B6D0, 1080 bytes long.
Data: < ! H > 88 21 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001DD87656A80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:25:01 (53596): wrapper (7.9.26016): starting
13:25:01 (53596): 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
13:28:08 (53596): C:/Windows/system32/cmd.exe exited; CPU time 168.687500
13:28:08 (53596): 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: 3437960 bytes.
Dumping objects ->
{1610} normal block at 0x0000022AAA687030, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1599} normal block at 0x0000022AAA686FC0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1588} normal block at 0x0000022AAA686E00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1577} normal block at 0x0000022AAA6870A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1566} normal block at 0x0000022AAA6871F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1535} normal block at 0x0000022AAA66C930, 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) : {1522} normal block at 0x0000022AAA686340, 8 bytes long.
Data: < c * > 00 00 63 AA 2A 02 00 00
{307} normal block at 0x0000022AAA686200, 8 bytes long.
Data: <Puh * > 50 75 68 AA 2A 02 00 00
{298} normal block at 0x0000022AAA677C00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x0000022AAA685DF0, 16 bytes long.
Data: <Hlh * > 48 6C 68 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000022AAA686660, 16 bytes long.
Data: < lh * > 20 6C 68 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000022AAA680C80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x0000022AAA685CB0, 16 bytes long.
Data: < kh * > F8 6B 68 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000022AAA685C60, 16 bytes long.
Data: < kh * > D0 6B 68 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000022AAA685BC0, 16 bytes long.
Data: < kh * > A8 6B 68 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000022AAA685B70, 16 bytes long.
Data: < kh * > 80 6B 68 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000022AAA686F50, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000022AAA685B20, 16 bytes long.
Data: <x g * > 78 A5 67 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000022AAA681400, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000022AAA686020, 16 bytes long.
Data: <P g * > 50 A5 67 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000022AAA685DA0, 16 bytes long.
Data: <( g * > 28 A5 67 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000022AAA685AD0, 16 bytes long.
Data: < g * > 00 A5 67 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000022AAA686390, 16 bytes long.
Data: < g * > D8 A4 67 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000022AAA685A80, 16 bytes long.
Data: < g * > B0 A4 67 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022AAA685940, 16 bytes long.
Data: < g * > 88 A4 67 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000022AAA680DA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x0000022AAA685C10, 16 bytes long.
Data: <` g * > 60 A4 67 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000022AAA67A460, 320 bytes long.
Data: < \h * h * > 10 5C 68 AA 2A 02 00 00 A0 0D 68 AA 2A 02 00 00
{277} normal block at 0x0000022AAA686430, 16 bytes long.
Data: <`kh * > 60 6B 68 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000022AAA685990, 16 bytes long.
Data: <8kh * > 38 6B 68 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000022AAA680F20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x0000022AAA686250, 16 bytes long.
Data: < kh * > 10 6B 68 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000022AAA681B80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000022AAA685850, 16 bytes long.
Data: <Xjh * > 58 6A 68 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000022AAA6863E0, 16 bytes long.
Data: <0jh * > 30 6A 68 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000022AAA685D50, 16 bytes long.
Data: < jh * > 08 6A 68 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000022AAA686610, 16 bytes long.
Data: < ih * > E0 69 68 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000022AAA6859E0, 16 bytes long.
Data: < ih * > B8 69 68 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000022AAA686070, 16 bytes long.
Data: < ih * > 90 69 68 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000022AAA686520, 16 bytes long.
Data: < f * > 20 E2 66 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000022AAA66E220, 40 bytes long.
Data: < eh * 0 f * > 20 65 68 AA 2A 02 00 00 30 C9 66 AA 2A 02 00 00
{263} normal block at 0x0000022AAA686480, 16 bytes long.
Data: <pih * > 70 69 68 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000022AAA685E40, 16 bytes long.
Data: <Hih * > 48 69 68 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000022AAA6815E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000022AAA6858A0, 16 bytes long.
Data: < ih * > 20 69 68 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000022AAA686920, 992 bytes long.
Data: < Xh * h * > A0 58 68 AA 2A 02 00 00 E0 15 68 AA 2A 02 00 00
{95} normal block at 0x0000022AAA681340, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000022AAA6807B0, 16 bytes long.
Data: < f * > C0 C8 66 AA 2A 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000022AAA66C8C0, 40 bytes long.
Data: < h * @ h * > B0 07 68 AA 2A 02 00 00 40 13 68 AA 2A 02 00 00
{72} normal block at 0x0000022AAA680170, 16 bytes long.
Data: < \C > 80 EA 5C 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000022AAA680620, 16 bytes long.
Data: <@ \C > 40 E9 5C 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000022AAA680300, 16 bytes long.
Data: < WYC > F8 57 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000022AAA680080, 16 bytes long.
Data: < WYC > D8 57 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000022AAA680530, 16 bytes long.
Data: <P YC > 50 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000022AAA680800, 16 bytes long.
Data: <0 YC > 30 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000022AAA67FF40, 16 bytes long.
Data: < YC > E0 02 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000022AAA680850, 16 bytes long.
Data: < YC > 10 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000022AAA6804E0, 16 bytes long.
Data: <p YC > 70 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000022AAA6801C0, 16 bytes long.
Data: < WC > 18 C0 57 43 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra