Task 38650643
| Name | test_294-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND1112_1 |
| Workunit | 31594156 |
| Created | 23 Oct 2026, 23:55:18 UTC |
| Sent | 24 Oct 2026, 0:12:26 UTC |
| Report deadline | 29 Oct 2026, 0:12:26 UTC |
| Received | 24 Oct 2026, 0:55:48 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654255 |
| Run time | 39 min 9 sec |
| CPU time | 36 min 53 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| 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 | 992.05 MB |
| Peak swap size | 5.34 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:13:34 (30292): wrapper (7.9.26016): starting
02:13:34 (30292): 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
02:13:36 (30292): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:13:36 (30292): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835204} normal block at 0x000001ADF821DB20, 8 bytes long.
Data: < > 00 00 85 F8 AD 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x000001ADF9F94770, 1080 bytes long.
Data: < 8 > C4 38 00 00 CD CD CD CD 0C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001ADF8221D00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
02:28:05 (17680): wrapper (7.9.26016): starting
02:28:05 (17680): 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) : {1545} normal block at 0x00000267BE336940, 8 bytes long.
Data: < g > 00 00 8A BE 67 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x00000267BE337370, 1080 bytes long.
Data: <|x 0 > 7C 78 00 00 CD CD CD CD 30 01 00 00 00 00 00 00
Object dump complete.
02:44:02 (14600): wrapper (7.9.26016): starting
02:44:02 (14600): 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
02:55:32 (14600): C:/Windows/system32/cmd.exe exited; CPU time 651.234375
02:55:32 (14600): 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: 13844467 bytes.
Dumping objects ->
{1634} normal block at 0x000001E4A6B858F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1623} normal block at 0x000001E4A6B85500, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1612} normal block at 0x000001E4A6B857A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1601} normal block at 0x000001E4A6B85650, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1590} normal block at 0x000001E4A6B85260, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1559} normal block at 0x000001E4A6B6F690, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1548} normal block at 0x000001E4A6B6C930, 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) : {1545} normal block at 0x000001E4A6B86490, 8 bytes long.
Data: < > 00 00 B4 A6 E4 01 00 00
{917} normal block at 0x000001E4A6B6BBA0, 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 0x000001E4A6B86C10, 8 bytes long.
Data: < q > E0 71 B8 A6 E4 01 00 00
{301} normal block at 0x000001E4A6B76F10, 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 0x000001E4A6B86530, 16 bytes long.
Data: < p > E8 70 B8 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001E4A6B86030, 16 bytes long.
Data: < p > C0 70 B8 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001E4A6B80180, 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 0x000001E4A6B86D50, 16 bytes long.
Data: < p > 98 70 B8 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001E4A6B86A30, 16 bytes long.
Data: <pp > 70 70 B8 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E4A6B860D0, 16 bytes long.
Data: <Hp > 48 70 B8 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001E4A6B86080, 16 bytes long.
Data: < p > 20 70 B8 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E4A6B853B0, 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 0x000001E4A6B86850, 16 bytes long.
Data: < > B8 95 B7 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E4A6B805A0, 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 0x000001E4A6B866C0, 16 bytes long.
Data: < > 90 95 B7 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E4A6B862B0, 16 bytes long.
Data: <h > 68 95 B7 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E4A6B86940, 16 bytes long.
Data: <@ > 40 95 B7 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001E4A6B86BC0, 16 bytes long.
Data: < > 18 95 B7 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E4A6B869E0, 16 bytes long.
Data: < > F0 94 B7 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E4A6B86260, 16 bytes long.
Data: < > C8 94 B7 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E4A6B804E0, 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 0x000001E4A6B86B70, 16 bytes long.
Data: < > A0 94 B7 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E4A6B794A0, 320 bytes long.
Data: <pk > 70 6B B8 A6 E4 01 00 00 E0 04 B8 A6 E4 01 00 00
{280} normal block at 0x000001E4A6B867B0, 16 bytes long.
Data: < p > 00 70 B8 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E4A6B86760, 16 bytes long.
Data: < o > D8 6F B8 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E4A6B80120, 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 0x000001E4A6B863F0, 16 bytes long.
Data: < o > B0 6F B8 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E4A6B80240, 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 0x000001E4A6B86AD0, 16 bytes long.
Data: < n > F8 6E B8 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E4A6B85F90, 16 bytes long.
Data: < n > D0 6E B8 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E4A6B85FE0, 16 bytes long.
Data: < n > A8 6E B8 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E4A6B86990, 16 bytes long.
Data: < n > 80 6E B8 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E4A6B86B20, 16 bytes long.
Data: <Xn > 58 6E B8 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E4A6B86210, 16 bytes long.
Data: <0n > 30 6E B8 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E4A6B86C60, 16 bytes long.
Data: < X > 80 58 B8 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E4A6B85880, 40 bytes long.
Data: <`l > 60 6C B8 A6 E4 01 00 00 90 F6 B6 A6 E4 01 00 00
{266} normal block at 0x000001E4A6B861C0, 16 bytes long.
Data: < n > 10 6E B8 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E4A6B86620, 16 bytes long.
Data: < m > E8 6D B8 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E4A6B7FD60, 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 0x000001E4A6B86800, 16 bytes long.
Data: < m > C0 6D B8 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E4A6B86DC0, 992 bytes long.
Data: < h ` > 00 68 B8 A6 E4 01 00 00 60 FD B7 A6 E4 01 00 00
{98} normal block at 0x000001E4A6B80060, 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 0x000001E4A6B7DDA0, 16 bytes long.
Data: < > C0 C8 B6 A6 E4 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000001E4A6B6C8C0, 40 bytes long.
Data: < ` > A0 DD B7 A6 E4 01 00 00 60 00 B8 A6 E4 01 00 00
{75} normal block at 0x000001E4A6B7E0C0, 16 bytes long.
Data: < > 80 EA DA F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001E4A6B7DB20, 16 bytes long.
Data: <@ > 40 E9 DA F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001E4A6B7DFD0, 16 bytes long.
Data: < W > F8 57 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001E4A6B7E020, 16 bytes long.
Data: < W > D8 57 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001E4A6B7E110, 16 bytes long.
Data: <P > 50 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001E4A6B7E520, 16 bytes long.
Data: <0 > 30 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001E4A6B7DA30, 16 bytes long.
Data: < > E0 02 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E4A6B7D710, 16 bytes long.
Data: < > 10 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E4A6B7E5C0, 16 bytes long.
Data: <p > 70 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E4A6B7DD50, 16 bytes long.
Data: < > 18 C0 D5 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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