Task 38655502
| Name | test_222-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND9974_0 |
| Workunit | 31599256 |
| Created | 24 Oct 2026, 9:38:39 UTC |
| Sent | 24 Oct 2026, 9:38:59 UTC |
| Report deadline | 29 Oct 2026, 9:38:59 UTC |
| Received | 25 Oct 2026, 3:38:44 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 561090 |
| Run time | 44 min 21 sec |
| CPU time | 44 min 21 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 8,189.73 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 3.52 GB |
| Peak swap size | 3.75 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
18:36:22 (8236): wrapper (7.9.26016): starting
18:36:22 (8236): 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
18:36:57 (8236): Library/usr/bin/tar.exe exited; CPU time 0.171875
18:36:57 (8236): 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\8\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\8\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) : {3835103} normal block at 0x000002B9E7ED9E10, 8 bytes long.
Data: < > 00 00 EB E7 B9 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833950} normal block at 0x000002B9E9B23910, 1080 bytes long.
Data: <0x T > 30 78 00 00 CD CD CD CD 54 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002B9E7EE3BB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
22:18:32 (17512): wrapper (7.9.26016): starting
22:18:32 (17512): 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\8\tmp already exists.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1453} normal block at 0x000002994C821800, 8 bytes long.
Data: < N > 00 00 0A 4E 99 02 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x000002994C823C80, 1080 bytes long.
Data: < L > 88 0E 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
22:28:31 (33392): wrapper (7.9.26016): starting
22:28:31 (33392): 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\8\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
22:37:50 (33392): C:/Windows/system32/cmd.exe exited; CPU time 490.156250
22:37:50 (33392): 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: 10246890 bytes.
Dumping objects ->
{1541} normal block at 0x00000173B2BAEF10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1530} normal block at 0x00000173B2BAECE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1519} normal block at 0x00000173B2BAF300, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1508} normal block at 0x00000173B2BAF140, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1497} normal block at 0x00000173B2BAEEA0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1466} normal block at 0x00000173B2B9D840, 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) : {1453} normal block at 0x00000173B2BB4050, 8 bytes long.
Data: < s > 00 00 B7 B2 73 01 00 00
{301} normal block at 0x00000173B2BB3B50, 8 bytes long.
Data: < W s > C0 57 BB B2 73 01 00 00
{292} normal block at 0x00000173B2B96290, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x00000173B2BB4280, 16 bytes long.
Data: < V s > C8 56 BB B2 73 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000173B2BB3CE0, 16 bytes long.
Data: < V s > A0 56 BB B2 73 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000173B2BACA40, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x00000173B2BB4230, 16 bytes long.
Data: <xV s > 78 56 BB B2 73 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000173B2BB3A10, 16 bytes long.
Data: <PV s > 50 56 BB B2 73 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000173B2BB3D80, 16 bytes long.
Data: <(V s > 28 56 BB B2 73 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000173B2BB3E70, 16 bytes long.
Data: < V s > 00 56 BB B2 73 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000173B2BAED50, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x00000173B2BB3560, 16 bytes long.
Data: < s > D8 D7 B9 B2 73 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000173B2BACB00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x00000173B2BB33D0, 16 bytes long.
Data: < s > B0 D7 B9 B2 73 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000173B2BB42D0, 16 bytes long.
Data: < s > 88 D7 B9 B2 73 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000173B2BB39C0, 16 bytes long.
Data: <` s > 60 D7 B9 B2 73 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000173B2BB3510, 16 bytes long.
Data: <8 s > 38 D7 B9 B2 73 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000173B2BB3E20, 16 bytes long.
Data: < s > 10 D7 B9 B2 73 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000173B2BB3970, 16 bytes long.
Data: < s > E8 D6 B9 B2 73 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000173B2BACBC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x00000173B2BB38D0, 16 bytes long.
Data: < s > C0 D6 B9 B2 73 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000173B2B9D6C0, 320 bytes long.
Data: < 8 s s > D0 38 BB B2 73 01 00 00 C0 CB BA B2 73 01 00 00
{271} normal block at 0x00000173B2BB3C90, 16 bytes long.
Data: < U s > E0 55 BB B2 73 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000173B2BB3880, 16 bytes long.
Data: < U s > B8 55 BB B2 73 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000173B2BAC9E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x00000173B2BB40F0, 16 bytes long.
Data: < U s > 90 55 BB B2 73 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000173B2BAC860, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x00000173B2BB3830, 16 bytes long.
Data: < T s > D8 54 BB B2 73 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000173B2BB4000, 16 bytes long.
Data: < T s > B0 54 BB B2 73 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000173B2BB36A0, 16 bytes long.
Data: < T s > 88 54 BB B2 73 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000173B2BB37E0, 16 bytes long.
Data: <`T s > 60 54 BB B2 73 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000173B2BB3DD0, 16 bytes long.
Data: <8T s > 38 54 BB B2 73 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000173B2BB4190, 16 bytes long.
Data: < T s > 10 54 BB B2 73 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000173B2BB3A60, 16 bytes long.
Data: < s > 20 F2 BA B2 73 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000173B2BAF220, 40 bytes long.
Data: <`: s @ s > 60 3A BB B2 73 01 00 00 40 D8 B9 B2 73 01 00 00
{257} normal block at 0x00000173B2BB3790, 16 bytes long.
Data: < S s > F0 53 BB B2 73 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000173B2BB3740, 16 bytes long.
Data: < S s > C8 53 BB B2 73 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000173B2BAD460, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x00000173B2BB3B00, 16 bytes long.
Data: < S s > A0 53 BB B2 73 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000173B2BB53A0, 992 bytes long.
Data: < ; s ` s > 00 3B BB B2 73 01 00 00 60 D4 BA B2 73 01 00 00
{89} normal block at 0x00000173B2BAD5E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x00000173B2BA8880, 16 bytes long.
Data: < s > B0 F1 BA B2 73 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x00000173B2BAF1B0, 40 bytes long.
Data: < s s > 80 88 BA B2 73 01 00 00 E0 D5 BA B2 73 01 00 00
{66} normal block at 0x00000173B2BA8100, 16 bytes long.
Data: < : > 80 EA B1 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000173B2BA7D40, 16 bytes long.
Data: <@ : > 40 E9 B1 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000173B2BA7B10, 16 bytes long.
Data: < W : > F8 57 AE 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000173B2BA7AC0, 16 bytes long.
Data: < W : > D8 57 AE 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000173B2BA8380, 16 bytes long.
Data: <P : > 50 04 AE 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000173B2BA7CF0, 16 bytes long.
Data: <0 : > 30 04 AE 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000173B2BA7CA0, 16 bytes long.
Data: < : > E0 02 AE 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000173B2BA82E0, 16 bytes long.
Data: < : > 10 04 AE 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000173B2BA7C50, 16 bytes long.
Data: <p : > 70 04 AE 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000173B2BA8650, 16 bytes long.
Data: < : > 18 C0 AC 3A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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