Task 38646963
| Name | test_287-GPUGRID_TEST_ATM_500_20261023-0-1-RND8799_1 |
| Workunit | 31590624 |
| Created | 23 Oct 2026, 17:33:27 UTC |
| Sent | 23 Oct 2026, 18:15:08 UTC |
| Report deadline | 28 Oct 2026, 18:15:08 UTC |
| Received | 23 Oct 2026, 21:10:53 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643201 |
| Run time | 22 min 8 sec |
| CPU time | 22 min 8 sec |
| Validate state | Valid |
| Credit | 1,000.00 |
| Device peak FLOPS | 23,192.10 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 720.45 MB |
| Peak swap size | 5.47 GB |
| Peak disk usage | 4.08 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
20:17:43 (32192): wrapper (7.9.26016): starting
20:17:43 (32192): 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
20:17:46 (32192): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:17:46 (32192): 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\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) : {3835168} normal block at 0x0000018AD3BA0370, 8 bytes long.
Data: < > 00 00 00 D4 8A 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x0000018AD3BA4410, 1080 bytes long.
Data: <05 X > 30 35 00 00 CD CD CD CD 58 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000018AD3BA8570, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
22:44:36 (6312): wrapper (7.9.26016): starting
22:44:36 (6312): 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\0\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
22:59:13 (6312): C:/Windows/system32/cmd.exe exited; CPU time 760.234375
22:59:13 (6312): 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: 18605914 bytes.
Dumping objects ->
{1603} normal block at 0x00000199FF4053B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1592} normal block at 0x00000199FF4057A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1581} normal block at 0x00000199FF405650, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1570} normal block at 0x00000199FF405730, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1559} normal block at 0x00000199FF405880, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1528} normal block at 0x00000199FF405DE0, 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) : {1515} normal block at 0x00000199FF406680, 8 bytes long.
Data: < > 00 00 8B FF 99 01 00 00
{304} normal block at 0x00000199FF406810, 8 bytes long.
Data: <@t@ > 40 74 40 FF 99 01 00 00
{295} normal block at 0x00000199FF3F7AC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x00000199FF406C20, 16 bytes long.
Data: <Hs@ > 48 73 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000199FF4067C0, 16 bytes long.
Data: < s@ > 20 73 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000199FF4013B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x00000199FF406450, 16 bytes long.
Data: < r@ > F8 72 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000199FF406270, 16 bytes long.
Data: < r@ > D0 72 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000199FF406400, 16 bytes long.
Data: < r@ > A8 72 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000199FF4063B0, 16 bytes long.
Data: < r@ > 80 72 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000199FF4055E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x00000199FF406AE0, 16 bytes long.
Data: < \@ > 18 5C 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000199FF401470, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x00000199FF406720, 16 bytes long.
Data: < [@ > F0 5B 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000199FF4066D0, 16 bytes long.
Data: < [@ > C8 5B 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000199FF406220, 16 bytes long.
Data: < [@ > A0 5B 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000199FF406A40, 16 bytes long.
Data: <x[@ > 78 5B 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000199FF406770, 16 bytes long.
Data: <P[@ > 50 5B 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000199FF4064A0, 16 bytes long.
Data: <([@ > 28 5B 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000199FF401770, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x00000199FF4069F0, 16 bytes long.
Data: < [@ > 00 5B 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000199FF405B00, 320 bytes long.
Data: < i@ p @ > F0 69 40 FF 99 01 00 00 70 17 40 FF 99 01 00 00
{274} normal block at 0x00000199FF406630, 16 bytes long.
Data: <`r@ > 60 72 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000199FF4065E0, 16 bytes long.
Data: <8r@ > 38 72 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000199FF4011D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x00000199FF4068B0, 16 bytes long.
Data: < r@ > 10 72 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000199FF401290, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x00000199FF4069A0, 16 bytes long.
Data: <Xq@ > 58 71 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000199FF406360, 16 bytes long.
Data: <0q@ > 30 71 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000199FF406130, 16 bytes long.
Data: < q@ > 08 71 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000199FF405EB0, 16 bytes long.
Data: < p@ > E0 70 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000199FF406310, 16 bytes long.
Data: < p@ > B8 70 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000199FF4061D0, 16 bytes long.
Data: < p@ > 90 70 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000199FF405FF0, 16 bytes long.
Data: < X@ > 10 58 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000199FF405810, 40 bytes long.
Data: < _@ ]@ > F0 5F 40 FF 99 01 00 00 E0 5D 40 FF 99 01 00 00
{260} normal block at 0x00000199FF406CC0, 16 bytes long.
Data: <pp@ > 70 70 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000199FF406180, 16 bytes long.
Data: <Hp@ > 48 70 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000199FF401170, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x00000199FF406590, 16 bytes long.
Data: < p@ > 20 70 40 FF 99 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000199FF407020, 992 bytes long.
Data: < e@ p @ > 90 65 40 FF 99 01 00 00 70 11 40 FF 99 01 00 00
{92} normal block at 0x00000199FF4014D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x00000199FF400AF0, 16 bytes long.
Data: < > > F0 EE 3E FF 99 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000199FF3EEEF0, 40 bytes long.
Data: < @ @ > F0 0A 40 FF 99 01 00 00 D0 14 40 FF 99 01 00 00
{69} normal block at 0x00000199FF4000F0, 16 bytes long.
Data: < 0 > 80 EA 30 B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000199FF400640, 16 bytes long.
Data: <@ 0 > 40 E9 30 B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000199FF400D70, 16 bytes long.
Data: < W- > F8 57 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000199FF400AA0, 16 bytes long.
Data: < W- > D8 57 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000199FF400500, 16 bytes long.
Data: <P - > 50 04 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000199FF4005F0, 16 bytes long.
Data: <0 - > 30 04 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000199FF400190, 16 bytes long.
Data: < - > E0 02 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000199FF400690, 16 bytes long.
Data: < - > 10 04 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000199FF400CD0, 16 bytes long.
Data: <p - > 70 04 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000199FF400000, 16 bytes long.
Data: < + > 18 C0 2B B9 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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