Task 38650886
| Name | test_497-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND5767_0 |
| Workunit | 31595351 |
| Created | 24 Oct 2026, 0:27:00 UTC |
| Sent | 24 Oct 2026, 0:43:34 UTC |
| Report deadline | 29 Oct 2026, 0:43:34 UTC |
| Received | 24 Oct 2026, 10:37:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 561610 |
| Run time | 37 min 51 sec |
| CPU time | 35 min 38 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,156.89 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 665.33 MB |
| Peak swap size | 5.21 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
21:13:03 (241700): wrapper (7.9.26016): starting
21:13:03 (241700): 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
21:13:04 (241700): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:13:04 (241700): 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\1\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\1\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) : {3835124} normal block at 0x000002417699E830, 8 bytes long.
Data: < vA > 00 00 FD 76 41 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833964} normal block at 0x00000241787C5980, 1080 bytes long.
Data: <, > 2C B1 03 00 CD CD CD CD C0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000241769A2220, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
06:00:11 (248336): wrapper (7.9.26016): starting
06:00:11 (248336): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x00000161DD886780, 8 bytes long.
Data: < a > 00 00 83 DD 61 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x00000161DD887390, 1080 bytes long.
Data: <( H > 28 A4 03 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
06:23:03 (240688): wrapper (7.9.26016): starting
06:23:03 (240688): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
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
06:36:57 (240688): C:/Windows/system32/cmd.exe exited; CPU time 799.453125
06:36:57 (240688): 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: 16165262 bytes.
Dumping objects ->
{1555} normal block at 0x0000024832D64320, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1544} normal block at 0x0000024832D648D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1533} normal block at 0x0000024832D64630, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1522} normal block at 0x0000024832D647F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1511} normal block at 0x0000024832D64780, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1480} normal block at 0x0000024832D4F4A0, 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) : {1467} normal block at 0x0000024832D66150, 8 bytes long.
Data: < 3H > 00 00 1C 33 48 02 00 00
{308} normal block at 0x0000024832D66830, 8 bytes long.
Data: <Ps 2H > 50 73 D6 32 48 02 00 00
{299} normal block at 0x0000024832D56C20, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x0000024832D66240, 16 bytes long.
Data: <Xr 2H > 58 72 D6 32 48 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000024832D66D30, 16 bytes long.
Data: <0r 2H > 30 72 D6 32 48 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000024832D5FFF0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x0000024832D66740, 16 bytes long.
Data: < r 2H > 08 72 D6 32 48 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000024832D664C0, 16 bytes long.
Data: < q 2H > E0 71 D6 32 48 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024832D661F0, 16 bytes long.
Data: < q 2H > B8 71 D6 32 48 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024832D66470, 16 bytes long.
Data: < q 2H > 90 71 D6 32 48 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024832D64860, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x0000024832D669C0, 16 bytes long.
Data: <H 2H > 48 97 D5 32 48 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024832D5FE70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x0000024832D66EC0, 16 bytes long.
Data: < 2H > 20 97 D5 32 48 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024832D66C40, 16 bytes long.
Data: < 2H > F8 96 D5 32 48 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024832D66920, 16 bytes long.
Data: < 2H > D0 96 D5 32 48 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024832D66010, 16 bytes long.
Data: < 2H > A8 96 D5 32 48 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024832D66420, 16 bytes long.
Data: < 2H > 80 96 D5 32 48 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024832D66E70, 16 bytes long.
Data: <X 2H > 58 96 D5 32 48 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024832D604D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x0000024832D666F0, 16 bytes long.
Data: <0 2H > 30 96 D5 32 48 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024832D59630, 320 bytes long.
Data: < f 2H 2H > F0 66 D6 32 48 02 00 00 D0 04 D6 32 48 02 00 00
{278} normal block at 0x0000024832D66330, 16 bytes long.
Data: <pq 2H > 70 71 D6 32 48 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024832D661A0, 16 bytes long.
Data: <Hq 2H > 48 71 D6 32 48 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024832D5FB70, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x0000024832D66290, 16 bytes long.
Data: < q 2H > 20 71 D6 32 48 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024832D5FDB0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x0000024832D66C90, 16 bytes long.
Data: <hp 2H > 68 70 D6 32 48 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024832D66790, 16 bytes long.
Data: <@p 2H > 40 70 D6 32 48 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024832D662E0, 16 bytes long.
Data: < p 2H > 18 70 D6 32 48 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024832D65FC0, 16 bytes long.
Data: < o 2H > F0 6F D6 32 48 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024832D66CE0, 16 bytes long.
Data: < o 2H > C8 6F D6 32 48 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024832D66BF0, 16 bytes long.
Data: < o 2H > A0 6F D6 32 48 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024832D66060, 16 bytes long.
Data: < J 2H > 20 4A D6 32 48 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024832D64A20, 40 bytes long.
Data: <`` 2H 2H > 60 60 D6 32 48 02 00 00 A0 F4 D4 32 48 02 00 00
{264} normal block at 0x0000024832D66880, 16 bytes long.
Data: < o 2H > 80 6F D6 32 48 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024832D666A0, 16 bytes long.
Data: <Xo 2H > 58 6F D6 32 48 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024832D5FC90, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x0000024832D66650, 16 bytes long.
Data: <0o 2H > 30 6F D6 32 48 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000024832D66F30, 992 bytes long.
Data: <Pf 2H 2H > 50 66 D6 32 48 02 00 00 90 FC D5 32 48 02 00 00
{96} normal block at 0x0000024832D60170, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x0000024832D5E660, 16 bytes long.
Data: < D 2H > E0 44 D6 32 48 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000024832D644E0, 40 bytes long.
Data: <` 2H p 2H > 60 E6 D5 32 48 02 00 00 70 01 D6 32 48 02 00 00
{73} normal block at 0x0000024832D5E700, 16 bytes long.
Data: < 1 > 80 EA 04 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000024832D5E6B0, 16 bytes long.
Data: <@ 1 > 40 E9 04 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000024832D5DDF0, 16 bytes long.
Data: < W 1 > F8 57 01 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000024832D5DEE0, 16 bytes long.
Data: < W 1 > D8 57 01 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000024832D5E430, 16 bytes long.
Data: <P 1 > 50 04 01 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024832D5E2F0, 16 bytes long.
Data: <0 1 > 30 04 01 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024832D5DD00, 16 bytes long.
Data: < 1 > E0 02 01 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024832D5E3E0, 16 bytes long.
Data: < 1 > 10 04 01 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024832D5DB20, 16 bytes long.
Data: <p 1 > 70 04 01 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024832D5E7F0, 16 bytes long.
Data: < 0 > 18 C0 FF 30 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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