Task 38659875
| Name | test_999-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND0548_0 |
| Workunit | 31603412 |
| Created | 24 Oct 2026, 13:39:24 UTC |
| Sent | 24 Oct 2026, 13:44:20 UTC |
| Report deadline | 29 Oct 2026, 13:44:20 UTC |
| Received | 24 Oct 2026, 16:23:34 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654255 |
| Run time | 39 min 50 sec |
| CPU time | 36 min 23 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 | 686.32 MB |
| Peak swap size | 5.35 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:38:10 (36708): wrapper (7.9.26016): starting
17:38:10 (36708): 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
17:38:12 (36708): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:38:12 (36708): 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) : {3847822} normal block at 0x0000017177FEE020, 8 bytes long.
Data: < Ixq > 00 00 49 78 71 01 00 00
..\lib\diagnostics_win.cpp(417) : {3846586} normal block at 0x0000017179D44770, 1080 bytes long.
Data: < < > 98 8C 00 00 CD CD CD CD 3C 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000017177FF1940, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:51:33 (26820): wrapper (7.9.26016): starting
17:51:33 (26820): 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 0x000001E8B6765FA0, 8 bytes long.
Data: < m > 00 00 6D B6 E8 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001E8B6767500, 1080 bytes long.
Data: <$ L > 24 8D 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
18:07:28 (28624): wrapper (7.9.26016): starting
18:07:28 (28624): 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
18:20:31 (28624): C:/Windows/system32/cmd.exe exited; CPU time 742.625000
18:20:31 (28624): 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: 15991663 bytes.
Dumping objects ->
{1634} normal block at 0x0000020C61105440, 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 0x0000020C61105750, 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 0x0000020C61105520, 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 0x0000020C61105360, 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 0x0000020C611054B0, 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 0x0000020C610EFAD0, 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 0x0000020C610EC930, 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 0x0000020C61106920, 8 bytes long.
Data: < Ya > 00 00 59 61 0C 02 00 00
{917} normal block at 0x0000020C610EBD20, 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 0x0000020C611068D0, 8 bytes long.
Data: <Ps a > 50 73 10 61 0C 02 00 00
{301} normal block at 0x0000020C610F7130, 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 0x0000020C61106560, 16 bytes long.
Data: <Xr a > 58 72 10 61 0C 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000020C61106BA0, 16 bytes long.
Data: <0r a > 30 72 10 61 0C 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000020C610FFE70, 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 0x0000020C61106240, 16 bytes long.
Data: < r a > 08 72 10 61 0C 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000020C61106790, 16 bytes long.
Data: < q a > E0 71 10 61 0C 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000020C61106380, 16 bytes long.
Data: < q a > B8 71 10 61 0C 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000020C61106150, 16 bytes long.
Data: < q a > 90 71 10 61 0C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020C61105670, 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 0x0000020C611061A0, 16 bytes long.
Data: < a > B8 BC 0E 61 0C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000020C61100350, 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 0x0000020C61106010, 16 bytes long.
Data: < a > 90 BC 0E 61 0C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020C611060B0, 16 bytes long.
Data: <h a > 68 BC 0E 61 0C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020C61106650, 16 bytes long.
Data: <@ a > 40 BC 0E 61 0C 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000020C61106A60, 16 bytes long.
Data: < a > 18 BC 0E 61 0C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020C61105FC0, 16 bytes long.
Data: < a > F0 BB 0E 61 0C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000020C61106DD0, 16 bytes long.
Data: < a > C8 BB 0E 61 0C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000020C610FFA50, 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 0x0000020C611061F0, 16 bytes long.
Data: < a > A0 BB 0E 61 0C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020C610EBBA0, 320 bytes long.
Data: < a a P a > F0 61 10 61 0C 02 00 00 50 FA 0F 61 0C 02 00 00
{280} normal block at 0x0000020C61106CE0, 16 bytes long.
Data: <pq a > 70 71 10 61 0C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020C611064C0, 16 bytes long.
Data: <Hq a > 48 71 10 61 0C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020C610FFC30, 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 0x0000020C61106470, 16 bytes long.
Data: < q a > 20 71 10 61 0C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000020C610FF9F0, 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 0x0000020C61106880, 16 bytes long.
Data: <hp a > 68 70 10 61 0C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000020C61106C40, 16 bytes long.
Data: <@p a > 40 70 10 61 0C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000020C61106D30, 16 bytes long.
Data: < p a > 18 70 10 61 0C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020C61106420, 16 bytes long.
Data: < o a > F0 6F 10 61 0C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000020C61106EC0, 16 bytes long.
Data: < o a > C8 6F 10 61 0C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020C61106830, 16 bytes long.
Data: < o a > A0 6F 10 61 0C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020C611063D0, 16 bytes long.
Data: < V a > E0 56 10 61 0C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020C611056E0, 40 bytes long.
Data: < c a a > D0 63 10 61 0C 02 00 00 D0 FA 0E 61 0C 02 00 00
{266} normal block at 0x0000020C61106BF0, 16 bytes long.
Data: < o a > 80 6F 10 61 0C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020C61106330, 16 bytes long.
Data: <Xo a > 58 6F 10 61 0C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020C611003B0, 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 0x0000020C61105F70, 16 bytes long.
Data: <0o a > 30 6F 10 61 0C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000020C61106F30, 992 bytes long.
Data: <p_ a a > 70 5F 10 61 0C 02 00 00 B0 03 10 61 0C 02 00 00
{98} normal block at 0x0000020C610FFB10, 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 0x0000020C610FDCE0, 16 bytes long.
Data: < a > C0 C8 0E 61 0C 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000020C610EC8C0, 40 bytes long.
Data: < a a > E0 DC 0F 61 0C 02 00 00 10 FB 0F 61 0C 02 00 00
{75} normal block at 0x0000020C610FDE20, 16 bytes long.
Data: < > 80 EA DA F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000020C610FDC40, 16 bytes long.
Data: <@ > 40 E9 DA F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000020C610FDFB0, 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 0x0000020C610FDBF0, 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 0x0000020C610FE0F0, 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 0x0000020C610FDB00, 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 0x0000020C610FD8D0, 16 bytes long.
Data: < > E0 02 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020C610FE7D0, 16 bytes long.
Data: < > 10 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020C610FD9C0, 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 0x0000020C610FDF60, 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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