Task 38653876
| Name | test_220-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND6097_0 |
| Workunit | 31597752 |
| Created | 24 Oct 2026, 6:19:36 UTC |
| Sent | 24 Oct 2026, 6:53:41 UTC |
| Report deadline | 29 Oct 2026, 6:53:41 UTC |
| Received | 24 Oct 2026, 7:48:47 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654255 |
| Run time | 37 min 49 sec |
| CPU time | 35 min 8 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 | 663.42 MB |
| Peak swap size | 5.33 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:05:19 (12036): wrapper (7.9.26016): starting
09:05:19 (12036): 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
09:05:21 (12036): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:05:21 (12036): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835204} normal block at 0x0000013AF732E5C0, 8 bytes long.
Data: < : > 00 00 7F F7 3A 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x0000013AF9144770, 1080 bytes long.
Data: < f h > 1C 66 00 00 CD CD CD CD 68 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000013AF7331E40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:06:08 (22008): wrapper (7.9.26016): starting
09:06:08 (22008): 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 0x000002674BBF5F60, 8 bytes long.
Data: < Kg > 00 00 B8 4B 67 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000002674BBF7340, 1080 bytes long.
Data: <@F L > 40 46 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
09:22:03 (16580): wrapper (7.9.26016): starting
09:22:03 (16580): 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 0x0000024FB01B6670, 8 bytes long.
Data: < O > 00 00 15 B0 4F 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000024FB01B73C0, 1080 bytes long.
Data: < L > D8 8B 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
09:37:59 (17368): wrapper (7.9.26016): starting
09:37:59 (17368): 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
09:48:29 (17368): C:/Windows/system32/cmd.exe exited; CPU time 588.500000
09:48:29 (17368): 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: 12833133 bytes.
Dumping objects ->
{1634} normal block at 0x000001F04A4D5230, 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 0x000001F04A4D5380, 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 0x000001F04A4D51C0, 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 0x000001F04A4D5700, 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 0x000001F04A4D5620, 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 0x000001F04A4BC530, 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 0x000001F04A4BC490, 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 0x000001F04A4D6640, 8 bytes long.
Data: < ~J > 00 00 7E 4A F0 01 00 00
{917} normal block at 0x000001F04A4BBBA0, 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 0x000001F04A4D5FB0, 8 bytes long.
Data: < qMJ > B0 71 4D 4A F0 01 00 00
{301} normal block at 0x000001F04A4C71B0, 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 0x000001F04A4D6CD0, 16 bytes long.
Data: < pMJ > B8 70 4D 4A F0 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001F04A4D6140, 16 bytes long.
Data: < pMJ > 90 70 4D 4A F0 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001F04A4D0030, 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 0x000001F04A4D6BE0, 16 bytes long.
Data: <hpMJ > 68 70 4D 4A F0 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F04A4D6910, 16 bytes long.
Data: <@pMJ > 40 70 4D 4A F0 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F04A4D6B90, 16 bytes long.
Data: < pMJ > 18 70 4D 4A F0 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F04A4D6370, 16 bytes long.
Data: < oMJ > F0 6F 4D 4A F0 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F04A4D5460, 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 0x000001F04A4D6C80, 16 bytes long.
Data: < LJ > 88 95 4C 4A F0 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F04A4CFEB0, 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 0x000001F04A4D6AA0, 16 bytes long.
Data: <` LJ > 60 95 4C 4A F0 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F04A4D6A50, 16 bytes long.
Data: <8 LJ > 38 95 4C 4A F0 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F04A4D68C0, 16 bytes long.
Data: < LJ > 10 95 4C 4A F0 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F04A4D67D0, 16 bytes long.
Data: < LJ > E8 94 4C 4A F0 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F04A4D6AF0, 16 bytes long.
Data: < LJ > C0 94 4C 4A F0 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F04A4D6500, 16 bytes long.
Data: < LJ > 98 94 4C 4A F0 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F04A4D0330, 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 0x000001F04A4D6B40, 16 bytes long.
Data: <p LJ > 70 94 4C 4A F0 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F04A4C9470, 320 bytes long.
Data: <@kMJ 0 MJ > 40 6B 4D 4A F0 01 00 00 30 03 4D 4A F0 01 00 00
{280} normal block at 0x000001F04A4D6870, 16 bytes long.
Data: < oMJ > D0 6F 4D 4A F0 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F04A4D6780, 16 bytes long.
Data: < oMJ > A8 6F 4D 4A F0 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F04A4CFAF0, 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 0x000001F04A4D65F0, 16 bytes long.
Data: < oMJ > 80 6F 4D 4A F0 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F04A4D0630, 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 0x000001F04A4D6820, 16 bytes long.
Data: < nMJ > C8 6E 4D 4A F0 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F04A4D5F60, 16 bytes long.
Data: < nMJ > A0 6E 4D 4A F0 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F04A4D60A0, 16 bytes long.
Data: <xnMJ > 78 6E 4D 4A F0 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F04A4D6730, 16 bytes long.
Data: <PnMJ > 50 6E 4D 4A F0 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F04A4D66E0, 16 bytes long.
Data: <(nMJ > 28 6E 4D 4A F0 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F04A4D6690, 16 bytes long.
Data: < nMJ > 00 6E 4D 4A F0 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F04A4D60F0, 16 bytes long.
Data: < UMJ > B0 55 4D 4A F0 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F04A4D55B0, 40 bytes long.
Data: < `MJ 0 KJ > F0 60 4D 4A F0 01 00 00 30 C5 4B 4A F0 01 00 00
{266} normal block at 0x000001F04A4D65A0, 16 bytes long.
Data: < mMJ > E0 6D 4D 4A F0 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F04A4D5F10, 16 bytes long.
Data: < mMJ > B8 6D 4D 4A F0 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F04A4D0210, 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 0x000001F04A4D6550, 16 bytes long.
Data: < mMJ > 90 6D 4D 4A F0 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F04A4D6D90, 992 bytes long.
Data: <PeMJ MJ > 50 65 4D 4A F0 01 00 00 10 02 4D 4A F0 01 00 00
{98} normal block at 0x000001F04A4CFE50, 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 0x000001F04A4CDAA0, 16 bytes long.
Data: < KJ > C0 D6 4B 4A F0 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000001F04A4BD6C0, 40 bytes long.
Data: < LJ P LJ > A0 DA 4C 4A F0 01 00 00 50 FE 4C 4A F0 01 00 00
{75} normal block at 0x000001F04A4CE4F0, 16 bytes long.
Data: < > 80 EA DA F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001F04A4CD6E0, 16 bytes long.
Data: <@ > 40 E9 DA F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001F04A4CE180, 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 0x000001F04A4CE400, 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 0x000001F04A4CE630, 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 0x000001F04A4CE590, 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 0x000001F04A4CD8C0, 16 bytes long.
Data: < > E0 02 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F04A4CDF50, 16 bytes long.
Data: < > 10 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F04A4CD960, 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 0x000001F04A4CD910, 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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