Task 38650488
| Name | test_764-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND3032_1 |
| Workunit | 31594792 |
| Created | 23 Oct 2026, 23:34:16 UTC |
| Sent | 23 Oct 2026, 23:45:19 UTC |
| Report deadline | 28 Oct 2026, 23:45:19 UTC |
| Received | 27 Oct 2026, 17:19:56 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654837 |
| Run time | 46 min 24 sec |
| CPU time | 46 min 24 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 14,795.30 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 500.53 MB |
| Peak swap size | 6.89 GB |
| Peak disk usage | 4.20 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:06:34 (36436): wrapper (7.9.26016): starting
11:06:34 (36436): 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
11:06:54 (36436): Library/usr/bin/tar.exe exited; CPU time 0.062500
11:06:54 (36436): 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\19\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\19\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) : {3849900} normal block at 0x00000236121FE720, 8 bytes long.
Data: < g 6 > 00 00 67 12 36 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848425} normal block at 0x0000023612251180, 1080 bytes long.
Data: < 2 P > 94 32 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000023612200BA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:32:44 (1600): wrapper (7.9.26016): starting
11:32:44 (1600): 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\19\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
12:16:32 (1600): C:/Windows/system32/cmd.exe exited; CPU time 2324.109375
12:16:32 (1600): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 54878103 bytes.
Dumping objects ->
{1866} normal block at 0x0000026CCC1B4390, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1855} normal block at 0x0000026CCC1B4160, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1844} normal block at 0x0000026CCC1B42B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1833} normal block at 0x0000026CCC1B44E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1822} normal block at 0x0000026CCC1B4080, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1791} normal block at 0x0000026CCC19F5B0, 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) : {1778} normal block at 0x0000026CCC1B5D20, 8 bytes long.
Data: < l > 00 00 15 CC 6C 02 00 00
{304} normal block at 0x0000026CCC1B5C80, 8 bytes long.
Data: < _ l > 20 5F 1B CC 6C 02 00 00
{295} normal block at 0x0000026CCC19E0F0, 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 0x0000026CCC1B5870, 16 bytes long.
Data: < N l > 18 4E 1B CC 6C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000026CCC1B5E10, 16 bytes long.
Data: < M l > F0 4D 1B CC 6C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000026CCC1AF840, 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 0x0000026CCC1B5EB0, 16 bytes long.
Data: < M l > C8 4D 1B CC 6C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000026CCC1B5960, 16 bytes long.
Data: < M l > A0 4D 1B CC 6C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000026CCC1B5820, 16 bytes long.
Data: <xM l > 78 4D 1B CC 6C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000026CCC1B5460, 16 bytes long.
Data: <PM l > 50 4D 1B CC 6C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000026CCC1B45C0, 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 0x0000026CCC1B5DC0, 16 bytes long.
Data: <H l > 48 B5 19 CC 6C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000026CCC1AFC00, 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 0x0000026CCC1B5190, 16 bytes long.
Data: < l > 20 B5 19 CC 6C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026CCC1B5280, 16 bytes long.
Data: < l > F8 B4 19 CC 6C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026CCC1B5410, 16 bytes long.
Data: < l > D0 B4 19 CC 6C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000026CCC1B50F0, 16 bytes long.
Data: < l > A8 B4 19 CC 6C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000026CCC1B5CD0, 16 bytes long.
Data: < l > 80 B4 19 CC 6C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026CCC1B5AA0, 16 bytes long.
Data: <X l > 58 B4 19 CC 6C 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000026CCC1AF900, 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 0x0000026CCC1B57D0, 16 bytes long.
Data: <0 l > 30 B4 19 CC 6C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000026CCC19B430, 320 bytes long.
Data: < W l l > D0 57 1B CC 6C 02 00 00 00 F9 1A CC 6C 02 00 00
{274} normal block at 0x0000026CCC1B5D70, 16 bytes long.
Data: <0M l > 30 4D 1B CC 6C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026CCC1B50A0, 16 bytes long.
Data: < M l > 08 4D 1B CC 6C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000026CCC1AF480, 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 0x0000026CCC1B5000, 16 bytes long.
Data: < L l > E0 4C 1B CC 6C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000026CCC1AF120, 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 0x0000026CCC1B5780, 16 bytes long.
Data: <(L l > 28 4C 1B CC 6C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000026CCC1B55F0, 16 bytes long.
Data: < L l > 00 4C 1B CC 6C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000026CCC1B5050, 16 bytes long.
Data: < K l > D8 4B 1B CC 6C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026CCC1B5C30, 16 bytes long.
Data: < K l > B0 4B 1B CC 6C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000026CCC1B5230, 16 bytes long.
Data: < K l > 88 4B 1B CC 6C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000026CCC1AE310, 16 bytes long.
Data: <`K l > 60 4B 1B CC 6C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000026CCC1AE180, 16 bytes long.
Data: <0? l > 30 3F 1B CC 6C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000026CCC1B3F30, 40 bytes long.
Data: < l l > 80 E1 1A CC 6C 02 00 00 B0 F5 19 CC 6C 02 00 00
{260} normal block at 0x0000026CCC1AE130, 16 bytes long.
Data: <@K l > 40 4B 1B CC 6C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000026CCC1AE2C0, 16 bytes long.
Data: < K l > 18 4B 1B CC 6C 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000026CCC1AF4E0, 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 0x0000026CCC1AE040, 16 bytes long.
Data: < J l > F0 4A 1B CC 6C 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000026CCC1B4AF0, 992 bytes long.
Data: <@ l l > 40 E0 1A CC 6C 02 00 00 E0 F4 1A CC 6C 02 00 00
{92} normal block at 0x0000026CCC1AF660, 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 0x0000026CCC1AE950, 16 bytes long.
Data: < @ l > F0 40 1B CC 6C 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000026CCC1B40F0, 40 bytes long.
Data: <P l ` l > 50 E9 1A CC 6C 02 00 00 60 F6 1A CC 6C 02 00 00
{69} normal block at 0x0000026CCC1AE4A0, 16 bytes long.
Data: < J| > 80 EA 4A 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000026CCC1AE770, 16 bytes long.
Data: <@ J| > 40 E9 4A 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000026CCC1AE3B0, 16 bytes long.
Data: < WG| > F8 57 47 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000026CCC1AE900, 16 bytes long.
Data: < WG| > D8 57 47 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000026CCC1AECC0, 16 bytes long.
Data: <P G| > 50 04 47 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000026CCC1AE9F0, 16 bytes long.
Data: <0 G| > 30 04 47 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000026CCC1AEE00, 16 bytes long.
Data: < G| > E0 02 47 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000026CCC1AEAE0, 16 bytes long.
Data: < G| > 10 04 47 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000026CCC1AE400, 16 bytes long.
Data: <p G| > 70 04 47 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000026CCC1AEBD0, 16 bytes long.
Data: < E| > 18 C0 45 7C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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