Task 38665936
| Name | test_858-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND6547_0 |
| Workunit | 31608973 |
| Created | 25 Oct 2026, 1:47:53 UTC |
| Sent | 25 Oct 2026, 3:17:13 UTC |
| Report deadline | 30 Oct 2026, 3:17:13 UTC |
| Received | 25 Oct 2026, 16:29:14 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654255 |
| Run time | 6 hours 7 min 10 sec |
| CPU time | 6 hours 1 min 48 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 12,956.20 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 708.18 MB |
| Peak swap size | 5.36 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:08:57 (12320): wrapper (7.9.26016): starting
11:08:57 (12320): 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
11:08:59 (12320): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:08:59 (12320): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
"DOSKEY" non Š riconosciuto come comando interno o esterno,
un programma eseguibile o un file batch.
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.
11:30:17 (25092): wrapper (7.9.26016): starting
11:30:17 (25092): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
"DOSKEY" non Š riconosciuto come comando interno o esterno,
un programma eseguibile o un file batch.
Sottodirectory o file C:\ProgramData\BOINC\slots\0\tmp gi… esistente.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1549} normal block at 0x000001EC58E26E50, 8 bytes long.
Data: < 7Y > 00 00 37 59 EC 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001EC58E27380, 1080 bytes long.
Data: < c L > A8 63 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
13:42:32 (25864): Can't acquire lockfile (32) - waiting 35s
13:43:07 (25864): wrapper (7.9.26016): starting
13:43:07 (25864): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
"DOSKEY" non Š riconosciuto come comando interno o esterno,
un programma eseguibile o un file batch.
Sottodirectory o file C:\ProgramData\BOINC\slots\0\tmp gi… esistente.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1551} normal block at 0x000001CE0DF06510, 8 bytes long.
Data: < 6 > 00 00 36 0E CE 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001CE0DF07170, 1080 bytes long.
Data: < : > BC 3A 00 00 CD CD CD CD E0 00 00 00 00 00 00 00
Object dump complete.
16:53:33 (33488): wrapper (7.9.26016): starting
16:53:33 (33488): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
"DOSKEY" non Š riconosciuto come comando interno o esterno,
un programma eseguibile o un file batch.
Sottodirectory o file C:\ProgramData\BOINC\slots\0\tmp gi… esistente.
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
17:28:39 (33488): C:/Windows/system32/cmd.exe exited; CPU time 1986.359375
17:28:39 (33488): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 48112707 bytes.
Dumping objects ->
{1639} normal block at 0x000001F5076E5470, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1628} normal block at 0x000001F5076E5390, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1617} normal block at 0x000001F5076E5940, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1606} normal block at 0x000001F5076E58D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1595} normal block at 0x000001F5076E57F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1564} normal block at 0x000001F5076CFAC0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1553} normal block at 0x000001F5076CC930, 85 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) : {1549} normal block at 0x000001F5076E66D0, 8 bytes long.
Data: < > 00 00 C0 07 F5 01 00 00
{920} normal block at 0x000001F5076CBD20, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{310} normal block at 0x000001F5076E6B80, 8 bytes long.
Data: < sn > 80 73 6E 07 F5 01 00 00
{301} normal block at 0x000001F5076D7670, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x000001F5076E6220, 16 bytes long.
Data: < rn > 88 72 6E 07 F5 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001F5076E6950, 16 bytes long.
Data: <`rn > 60 72 6E 07 F5 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001F5076DFD80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x000001F5076E64A0, 16 bytes long.
Data: <8rn > 38 72 6E 07 F5 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F5076E6400, 16 bytes long.
Data: < rn > 10 72 6E 07 F5 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F5076E61D0, 16 bytes long.
Data: < qn > E8 71 6E 07 F5 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F5076E69A0, 16 bytes long.
Data: < qn > C0 71 6E 07 F5 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F5076E5550, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x000001F5076E6E50, 16 bytes long.
Data: < l > B8 BC 6C 07 F5 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F5076DFF60, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x000001F5076E6E00, 16 bytes long.
Data: < l > 90 BC 6C 07 F5 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F5076E60E0, 16 bytes long.
Data: <h l > 68 BC 6C 07 F5 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F5076E6DB0, 16 bytes long.
Data: <@ l > 40 BC 6C 07 F5 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F5076E6C70, 16 bytes long.
Data: < l > 18 BC 6C 07 F5 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F5076E6090, 16 bytes long.
Data: < l > F0 BB 6C 07 F5 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F5076E5FA0, 16 bytes long.
Data: < l > C8 BB 6C 07 F5 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F5076DFCC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x000001F5076E69F0, 16 bytes long.
Data: < l > A0 BB 6C 07 F5 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F5076CBBA0, 320 bytes long.
Data: < in m > F0 69 6E 07 F5 01 00 00 C0 FC 6D 07 F5 01 00 00
{280} normal block at 0x000001F5076E6900, 16 bytes long.
Data: < qn > A0 71 6E 07 F5 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F5076E6720, 16 bytes long.
Data: <xqn > 78 71 6E 07 F5 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F5076DFC60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x000001F5076E68B0, 16 bytes long.
Data: <Pqn > 50 71 6E 07 F5 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F5076E0440, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x000001F5076E6360, 16 bytes long.
Data: < pn > 98 70 6E 07 F5 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F5076E6180, 16 bytes long.
Data: <ppn > 70 70 6E 07 F5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F5076E6EF0, 16 bytes long.
Data: <Hpn > 48 70 6E 07 F5 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F5076E6810, 16 bytes long.
Data: < pn > 20 70 6E 07 F5 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F5076E6680, 16 bytes long.
Data: < on > F8 6F 6E 07 F5 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F5076E6450, 16 bytes long.
Data: < on > D0 6F 6E 07 F5 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F5076E6130, 16 bytes long.
Data: < Zn > 20 5A 6E 07 F5 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F5076E5A20, 40 bytes long.
Data: <0an l > 30 61 6E 07 F5 01 00 00 C0 FA 6C 07 F5 01 00 00
{266} normal block at 0x000001F5076E67C0, 16 bytes long.
Data: < on > B0 6F 6E 07 F5 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F5076E63B0, 16 bytes long.
Data: < on > 88 6F 6E 07 F5 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F5076E06E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x000001F5076E6590, 16 bytes long.
Data: <`on > 60 6F 6E 07 F5 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F5076E6F60, 992 bytes long.
Data: < en n > 90 65 6E 07 F5 01 00 00 E0 06 6E 07 F5 01 00 00
{98} normal block at 0x000001F5076E03E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x000001F5076DE350, 16 bytes long.
Data: < l > C0 C8 6C 07 F5 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000001F5076CC8C0, 40 bytes long.
Data: <P m n > 50 E3 6D 07 F5 01 00 00 E0 03 6E 07 F5 01 00 00
{75} normal block at 0x000001F5076DE760, 16 bytes long.
Data: < > 80 EA 82 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001F5076DE710, 16 bytes long.
Data: <@ > 40 E9 82 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001F5076DE030, 16 bytes long.
Data: < W > F8 57 7F 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001F5076DE440, 16 bytes long.
Data: < W > D8 57 7F 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001F5076DE6C0, 16 bytes long.
Data: <P > 50 04 7F 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F5076DD9F0, 16 bytes long.
Data: <0 > 30 04 7F 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F5076DD900, 16 bytes long.
Data: < > E0 02 7F 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F5076DDF40, 16 bytes long.
Data: < > 10 04 7F 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F5076DDC20, 16 bytes long.
Data: <p > 70 04 7F 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F5076DD8B0, 16 bytes long.
Data: < } > 18 C0 7D 18 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra