Task 38665526
| Name | test_635-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND8185_0 |
| Workunit | 31608619 |
| Created | 25 Oct 2026, 1:09:47 UTC |
| Sent | 25 Oct 2026, 1:21:40 UTC |
| Report deadline | 30 Oct 2026, 1:21:40 UTC |
| Received | 26 Oct 2026, 22:04:29 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 611806 |
| Run time | 10 hours 5 min 46 sec |
| CPU time | 7 hours 13 min 50 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 5,030.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 693.97 MB |
| Peak swap size | 5.21 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:18:42 (5428): wrapper (7.9.26016): starting
07:18:42 (5428): 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
07:18:44 (5428): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:18:44 (5428): 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) : {3835140} normal block at 0x0000025C7E86F1B0, 8 bytes long.
Data: < ~\ > 00 00 D1 7E 5C 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833962} normal block at 0x0000025C7E8748E0, 1080 bytes long.
Data: < u > 98 75 00 00 CD CD CD CD BC 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000025C7E8717C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:58:38 (21592): wrapper (7.9.26016): starting
09:58:38 (21592): 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) : {1484} normal block at 0x0000023EA487A360, 8 bytes long.
Data: < > > 00 00 E0 A4 3E 02 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x0000023EA487B3D0, 1080 bytes long.
Data: < Z p > 18 5A 00 00 CD CD CD CD 70 01 00 00 00 00 00 00
Object dump complete.
09:58:28 (11688): wrapper (7.9.26016): starting
09:58:28 (11688): 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
17:04:02 (11688): C:/Windows/system32/cmd.exe exited; CPU time 16033.453125
17:04:02 (11688): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 284335440 bytes.
Dumping objects ->
{1573} normal block at 0x0000019B9DD761E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1562} normal block at 0x0000019B9DD75BC0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1551} normal block at 0x0000019B9DD75CA0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1540} normal block at 0x0000019B9DD75B50, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1529} normal block at 0x0000019B9DD75C30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1498} normal block at 0x0000019B9DD7AFA0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1487} normal block at 0x0000019B9DD63F80, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1484} normal block at 0x0000019B9DD7A410, 8 bytes long.
Data: < 9 > 00 00 39 9E 9B 01 00 00
{885} normal block at 0x0000019B9DD7AD90, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{307} normal block at 0x0000019B9DD7A3C0, 8 bytes long.
Data: < > 90 B4 D7 9D 9B 01 00 00
{298} normal block at 0x0000019B9DD66DB0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x0000019B9DD7AB40, 16 bytes long.
Data: < > 98 B3 D7 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000019B9DD7AC80, 16 bytes long.
Data: <p > 70 B3 D7 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000019B9DD740C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x0000019B9DD7A2D0, 16 bytes long.
Data: <H > 48 B3 D7 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019B9DD7A050, 16 bytes long.
Data: < > 20 B3 D7 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000019B9DD79F10, 16 bytes long.
Data: < > F8 B2 D7 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019B9DD7A280, 16 bytes long.
Data: < > D0 B2 D7 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019B9DD75E60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000019B9DD7A7D0, 16 bytes long.
Data: <x > 78 EC D5 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019B9DD73C40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000019B9DD7A190, 16 bytes long.
Data: <P > 50 EC D5 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019B9DD7AAA0, 16 bytes long.
Data: <( > 28 EC D5 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019B9DD7AD20, 16 bytes long.
Data: < > 00 EC D5 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019B9DD7A1E0, 16 bytes long.
Data: < > D8 EB D5 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019B9DD7A5F0, 16 bytes long.
Data: < > B0 EB D5 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019B9DD7A9B0, 16 bytes long.
Data: < > 88 EB D5 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019B9DD74840, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x0000019B9DD7AAF0, 16 bytes long.
Data: <` > 60 EB D5 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019B9DD5EB60, 320 bytes long.
Data: < @H > F0 AA D7 9D 9B 01 00 00 40 48 D7 9D 9B 01 00 00
{277} normal block at 0x0000019B9DD79EC0, 16 bytes long.
Data: < > B0 B2 D7 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019B9DD7A000, 16 bytes long.
Data: < > 88 B2 D7 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019B9DD74540, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x0000019B9DD7A780, 16 bytes long.
Data: <` > 60 B2 D7 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019B9DD73E80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000019B9DD7A730, 16 bytes long.
Data: < > A8 B1 D7 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019B9DD7AB90, 16 bytes long.
Data: < > 80 B1 D7 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019B9DD7A960, 16 bytes long.
Data: <X > 58 B1 D7 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019B9DD7A910, 16 bytes long.
Data: <0 > 30 B1 D7 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019B9DD79FB0, 16 bytes long.
Data: < > 08 B1 D7 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019B9DD7ACD0, 16 bytes long.
Data: < > E0 B0 D7 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019B9DD7A460, 16 bytes long.
Data: < ] > F0 5D D7 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019B9DD75DF0, 40 bytes long.
Data: <` > 60 A4 D7 9D 9B 01 00 00 A0 AF D7 9D 9B 01 00 00
{263} normal block at 0x0000019B9DD7A690, 16 bytes long.
Data: < > C0 B0 D7 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019B9DD7A370, 16 bytes long.
Data: < > 98 B0 D7 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000019B9DD74960, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000019B9DD79F60, 16 bytes long.
Data: <p > 70 B0 D7 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000019B9DD7B070, 992 bytes long.
Data: <` `I > 60 9F D7 9D 9B 01 00 00 60 49 D7 9D 9B 01 00 00
{95} normal block at 0x0000019B9DD74360, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000019B9DD71C80, 16 bytes long.
Data: <@_ > 40 5F D7 9D 9B 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000019B9DD75F40, 40 bytes long.
Data: < `C > 80 1C D7 9D 9B 01 00 00 60 43 D7 9D 9B 01 00 00
{72} normal block at 0x0000019B9DD72360, 16 bytes long.
Data: < > 80 EA E4 D3 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000019B9DD71FA0, 16 bytes long.
Data: <@ > 40 E9 E4 D3 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000019B9DD72540, 16 bytes long.
Data: < W > F8 57 E1 D3 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000019B9DD729F0, 16 bytes long.
Data: < W > D8 57 E1 D3 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019B9DD728B0, 16 bytes long.
Data: <P > 50 04 E1 D3 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019B9DD72810, 16 bytes long.
Data: <0 > 30 04 E1 D3 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019B9DD72A90, 16 bytes long.
Data: < > E0 02 E1 D3 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019B9DD726D0, 16 bytes long.
Data: < > 10 04 E1 D3 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019B9DD72310, 16 bytes long.
Data: <p > 70 04 E1 D3 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019B9DD72B80, 16 bytes long.
Data: < > 18 C0 DF D3 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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