Task 38685363
| Name | test_257-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND3669_0 |
| Workunit | 31626833 |
| Created | 27 Oct 2026, 20:42:29 UTC |
| Sent | 27 Oct 2026, 20:42:37 UTC |
| Report deadline | 1 Nov 2026, 20:42:37 UTC |
| Received | 27 Oct 2026, 21:36:27 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 561610 |
| Run time | 41 min 6 sec |
| CPU time | 39 min 23 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 | 683.33 MB |
| Peak swap size | 5.22 GB |
| Peak disk usage | 4.12 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
16:45:08 (340116): wrapper (7.9.26016): starting
16:45:08 (340116): 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
16:45:09 (340116): Library/usr/bin/tar.exe exited; CPU time 0.031250
16:45:09 (340116): 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 0x000002488575DA60, 8 bytes long.
Data: < H > 00 00 A7 85 48 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833964} normal block at 0x0000024887365910, 1080 bytes long.
Data: < 8 > BC 0B 05 00 CD CD CD CD 38 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000024885761D10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:56:33 (327796): wrapper (7.9.26016): starting
16:56:33 (327796): 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
17:35:41 (327796): C:/Windows/system32/cmd.exe exited; CPU time 2293.875000
17:35:41 (327796): 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: 51310932 bytes.
Dumping objects ->
{1555} normal block at 0x000002DD78734590, 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 0x000002DD78734520, 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 0x000002DD787349F0, 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 0x000002DD787343D0, 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 0x000002DD78734830, 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 0x000002DD787297D0, 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 0x000002DD78736280, 8 bytes long.
Data: < px > 00 00 70 78 DD 02 00 00
{308} normal block at 0x000002DD78736AA0, 8 bytes long.
Data: < ssx > 90 73 73 78 DD 02 00 00
{299} normal block at 0x000002DD787266C0, 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 0x000002DD78736B90, 16 bytes long.
Data: < rsx > 98 72 73 78 DD 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002DD78736690, 16 bytes long.
Data: <prsx > 70 72 73 78 DD 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002DD7872F970, 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 0x000002DD78736000, 16 bytes long.
Data: <Hrsx > 48 72 73 78 DD 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002DD787365A0, 16 bytes long.
Data: < rsx > 20 72 73 78 DD 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002DD78736F00, 16 bytes long.
Data: < qsx > F8 71 73 78 DD 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002DD78736A00, 16 bytes long.
Data: < qsx > D0 71 73 78 DD 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002DD787347C0, 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 0x000002DD78736230, 16 bytes long.
Data: <X qx > 58 BB 71 78 DD 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002DD7872F910, 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 0x000002DD787365F0, 16 bytes long.
Data: <0 qx > 30 BB 71 78 DD 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002DD78736D70, 16 bytes long.
Data: < qx > 08 BB 71 78 DD 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002DD78736EB0, 16 bytes long.
Data: < qx > E0 BA 71 78 DD 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002DD78736910, 16 bytes long.
Data: < qx > B8 BA 71 78 DD 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002DD78736820, 16 bytes long.
Data: < qx > 90 BA 71 78 DD 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002DD78736140, 16 bytes long.
Data: <h qx > 68 BA 71 78 DD 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002DD78730510, 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 0x000002DD78736D20, 16 bytes long.
Data: <@ qx > 40 BA 71 78 DD 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002DD7871BA40, 320 bytes long.
Data: < msx sx > 20 6D 73 78 DD 02 00 00 10 05 73 78 DD 02 00 00
{278} normal block at 0x000002DD78736AF0, 16 bytes long.
Data: < qsx > B0 71 73 78 DD 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002DD78736CD0, 16 bytes long.
Data: < qsx > 88 71 73 78 DD 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002DD787304B0, 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 0x000002DD78736640, 16 bytes long.
Data: <`qsx > 60 71 73 78 DD 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002DD78730390, 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 0x000002DD78736320, 16 bytes long.
Data: < psx > A8 70 73 78 DD 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002DD78736870, 16 bytes long.
Data: < psx > 80 70 73 78 DD 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002DD78736E10, 16 bytes long.
Data: <Xpsx > 58 70 73 78 DD 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002DD78735FB0, 16 bytes long.
Data: <0psx > 30 70 73 78 DD 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002DD787368C0, 16 bytes long.
Data: < psx > 08 70 73 78 DD 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002DD78736E60, 16 bytes long.
Data: < osx > E0 6F 73 78 DD 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002DD78736C30, 16 bytes long.
Data: <@Dsx > 40 44 73 78 DD 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002DD78734440, 40 bytes long.
Data: <0lsx rx > 30 6C 73 78 DD 02 00 00 D0 97 72 78 DD 02 00 00
{264} normal block at 0x000002DD78736DC0, 16 bytes long.
Data: < osx > C0 6F 73 78 DD 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002DD787367D0, 16 bytes long.
Data: < osx > 98 6F 73 78 DD 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002DD78730810, 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 0x000002DD78736B40, 16 bytes long.
Data: <posx > 70 6F 73 78 DD 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002DD78736F70, 992 bytes long.
Data: <@ksx sx > 40 6B 73 78 DD 02 00 00 10 08 73 78 DD 02 00 00
{96} normal block at 0x000002DD787302D0, 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 0x000002DD7872D980, 16 bytes long.
Data: <pFsx > 70 46 73 78 DD 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000002DD78734670, 40 bytes long.
Data: < rx sx > 80 D9 72 78 DD 02 00 00 D0 02 73 78 DD 02 00 00
{73} normal block at 0x000002DD7872D9D0, 16 bytes long.
Data: < [ > 80 EA F4 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002DD7872E290, 16 bytes long.
Data: <@ [ > 40 E9 F4 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002DD7872DC50, 16 bytes long.
Data: < W [ > F8 57 F1 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002DD7872DE30, 16 bytes long.
Data: < W [ > D8 57 F1 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002DD7872E600, 16 bytes long.
Data: <P [ > 50 04 F1 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002DD7872DC00, 16 bytes long.
Data: <0 [ > 30 04 F1 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002DD7872DD90, 16 bytes long.
Data: < [ > E0 02 F1 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002DD7872DA20, 16 bytes long.
Data: < [ > 10 04 F1 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002DD7872E830, 16 bytes long.
Data: <p [ > 70 04 F1 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002DD7872D930, 16 bytes long.
Data: < [ > 18 C0 EF 5B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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