Task 38699569
| Name | test_951-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND0708_0 |
| Workunit | 31639959 |
| Created | 4 Nov 2026, 17:07:48 UTC |
| Sent | 4 Nov 2026, 17:07:49 UTC |
| Report deadline | 9 Nov 2026, 17:07:49 UTC |
| Received | 6 Nov 2026, 9:09:27 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 655011 |
| Run time | 1 hours 18 min 41 sec |
| CPU time | 1 hours 11 min 47 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 7,990.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 670.68 MB |
| Peak swap size | 2.32 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:29:11 (12336): wrapper (7.9.26016): starting
19:29:11 (12336): 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
19:29:13 (12336): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:29:13 (12336): 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) : {3835089} normal block at 0x000002320F4165B0, 8 bytes long.
Data: < 9 2 > 00 00 39 0F 32 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833944} normal block at 0x0000023210E12D60, 1080 bytes long.
Data: < > D8 07 00 00 CD CD CD CD 10 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002320F420D30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:16:14 (11568): wrapper (7.9.26016): starting
09:16:15 (11568): 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
10:08:31 (11568): C:/Windows/system32/cmd.exe exited; CPU time 2959.921875
10:08:31 (11568): 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: 36371352 bytes.
Dumping objects ->
{1530} normal block at 0x000001FE81500B30, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1519} normal block at 0x000001FE81500AC0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1508} normal block at 0x000001FE815006D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1497} normal block at 0x000001FE815005F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1486} normal block at 0x000001FE81500430, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1455} normal block at 0x000001FE814FBF40, 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) : {1442} normal block at 0x000001FE81502630, 8 bytes long.
Data: < M > 00 00 4D 81 FE 01 00 00
{298} normal block at 0x000001FE815025E0, 8 bytes long.
Data: <`4P > 60 34 50 81 FE 01 00 00
{289} normal block at 0x000001FE814EA530, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x000001FE815020E0, 16 bytes long.
Data: <h3P > 68 33 50 81 FE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FE81502090, 16 bytes long.
Data: <@3P > 40 33 50 81 FE 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FE814FC950, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x000001FE81502540, 16 bytes long.
Data: < 3P > 18 33 50 81 FE 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FE81501E10, 16 bytes long.
Data: < 2P > F0 32 50 81 FE 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FE81501F00, 16 bytes long.
Data: < 2P > C8 32 50 81 FE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FE81502770, 16 bytes long.
Data: < 2P > A0 32 50 81 FE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FE81500890, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x000001FE815024F0, 16 bytes long.
Data: < N > 18 B5 4E 81 FE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FE814FC170, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x000001FE81502040, 16 bytes long.
Data: < N > F0 B4 4E 81 FE 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001FE81502AE0, 16 bytes long.
Data: < N > C8 B4 4E 81 FE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FE81501FF0, 16 bytes long.
Data: < N > A0 B4 4E 81 FE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FE81501FA0, 16 bytes long.
Data: <x N > 78 B4 4E 81 FE 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FE81501EB0, 16 bytes long.
Data: <P N > 50 B4 4E 81 FE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FE815028B0, 16 bytes long.
Data: <( N > 28 B4 4E 81 FE 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FE814FCD70, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x000001FE815029A0, 16 bytes long.
Data: < N > 00 B4 4E 81 FE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FE814EB400, 320 bytes long.
Data: < )P p O > A0 29 50 81 FE 01 00 00 70 CD 4F 81 FE 01 00 00
{268} normal block at 0x000001FE81501DC0, 16 bytes long.
Data: < 2P > 80 32 50 81 FE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FE81502720, 16 bytes long.
Data: <X2P > 58 32 50 81 FE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FE814FC350, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x000001FE81502810, 16 bytes long.
Data: <02P > 30 32 50 81 FE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FE814FC8F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x000001FE815023B0, 16 bytes long.
Data: <x1P > 78 31 50 81 FE 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FE81502450, 16 bytes long.
Data: <P1P > 50 31 50 81 FE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FE81502590, 16 bytes long.
Data: <(1P > 28 31 50 81 FE 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FE81502950, 16 bytes long.
Data: < 1P > 00 31 50 81 FE 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001FE81502860, 16 bytes long.
Data: < 0P > D8 30 50 81 FE 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001FE815029F0, 16 bytes long.
Data: < 0P > B0 30 50 81 FE 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001FE815021D0, 16 bytes long.
Data: <p P > 70 09 50 81 FE 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001FE81500970, 40 bytes long.
Data: < !P @ O > D0 21 50 81 FE 01 00 00 40 BF 4F 81 FE 01 00 00
{254} normal block at 0x000001FE815024A0, 16 bytes long.
Data: < 0P > 90 30 50 81 FE 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001FE81501D20, 16 bytes long.
Data: <h0P > 68 30 50 81 FE 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001FE814FCEF0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x000001FE81502A40, 16 bytes long.
Data: <@0P > 40 30 50 81 FE 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001FE81503040, 992 bytes long.
Data: <@*P O > 40 2A 50 81 FE 01 00 00 F0 CE 4F 81 FE 01 00 00
{86} normal block at 0x000001FE814FC6B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x000001FE814F6470, 16 bytes long.
Data: <` P > 60 06 50 81 FE 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001FE81500660, 40 bytes long.
Data: <pdO O > 70 64 4F 81 FE 01 00 00 B0 C6 4F 81 FE 01 00 00
{63} normal block at 0x000001FE814F69C0, 16 bytes long.
Data: < . > 80 EA D6 2E F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FE814F62E0, 16 bytes long.
Data: <@ . > 40 E9 D6 2E F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001FE814F65B0, 16 bytes long.
Data: < W . > F8 57 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001FE814F6FB0, 16 bytes long.
Data: < W . > D8 57 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001FE814F6EC0, 16 bytes long.
Data: <P . > 50 04 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001FE814F6560, 16 bytes long.
Data: <0 . > 30 04 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001FE814F64C0, 16 bytes long.
Data: < . > E0 02 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001FE814F6380, 16 bytes long.
Data: < . > 10 04 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001FE814F6D80, 16 bytes long.
Data: <p . > 70 04 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001FE814F6DD0, 16 bytes long.
Data: < . > 18 C0 D1 2E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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