Task 38665968
| Name | test_955-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND9927_0 |
| Workunit | 31609003 |
| Created | 25 Oct 2026, 1:51:19 UTC |
| Sent | 25 Oct 2026, 2:07:34 UTC |
| Report deadline | 30 Oct 2026, 2:07:34 UTC |
| Received | 25 Oct 2026, 2:53:30 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 629480 |
| Run time | 24 min 59 sec |
| CPU time | 23 min 40 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,590.50 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 720.29 MB |
| Peak swap size | 9.91 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
21:18:27 (31364): wrapper (7.9.26016): starting
21:18:27 (31364): 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
21:18:28 (31364): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:18:28 (31364): 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) : {3835431} normal block at 0x0000020B1193EA90, 8 bytes long.
Data: < > 00 00 DE 11 0B 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x0000020B11944020, 1080 bytes long.
Data: <8 , > 38 9F 00 00 CD CD CD CD 2C 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000020B11940790, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
21:32:27 (37488): wrapper (7.9.26016): starting
21:32:27 (37488): 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
21:53:01 (37488): C:/Windows/system32/cmd.exe exited; CPU time 1227.750000
21:53:01 (37488): 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: 26531434 bytes.
Dumping objects ->
{1865} normal block at 0x000001ECA6F84C70, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1854} normal block at 0x000001ECA6F84AB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1843} normal block at 0x000001ECA6F84C00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1832} normal block at 0x000001ECA6F84CE0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1821} normal block at 0x000001ECA6F84B90, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1790} normal block at 0x000001ECA6F79070, 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) : {1777} normal block at 0x000001ECA6F85BE0, 8 bytes long.
Data: < M > 00 00 4D A7 EC 01 00 00
{305} normal block at 0x000001ECA6F85FF0, 8 bytes long.
Data: < f > B0 66 F8 A6 EC 01 00 00
{296} normal block at 0x000001ECA6F76350, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001ECA6F855A0, 16 bytes long.
Data: < e > B8 65 F8 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001ECA6F854B0, 16 bytes long.
Data: < e > 90 65 F8 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001ECA6F7FC10, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001ECA6F85C30, 16 bytes long.
Data: <he > 68 65 F8 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001ECA6F858C0, 16 bytes long.
Data: <@e > 40 65 F8 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001ECA6F85FA0, 16 bytes long.
Data: < e > 18 65 F8 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001ECA6F85B90, 16 bytes long.
Data: < d > F0 64 F8 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001ECA6F847A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001ECA6F85D20, 16 bytes long.
Data: < > D8 B5 F6 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001ECA6F80510, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001ECA6F861D0, 16 bytes long.
Data: < > B0 B5 F6 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001ECA6F85640, 16 bytes long.
Data: < > 88 B5 F6 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001ECA6F85410, 16 bytes long.
Data: <` > 60 B5 F6 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001ECA6F86130, 16 bytes long.
Data: <8 > 38 B5 F6 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001ECA6F86040, 16 bytes long.
Data: < > 10 B5 F6 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001ECA6F86220, 16 bytes long.
Data: < > E8 B4 F6 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001ECA6F80030, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001ECA6F853C0, 16 bytes long.
Data: < > C0 B4 F6 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001ECA6F6B4C0, 320 bytes long.
Data: < S 0 > C0 53 F8 A6 EC 01 00 00 30 00 F8 A6 EC 01 00 00
{275} normal block at 0x000001ECA6F85550, 16 bytes long.
Data: < d > D0 64 F8 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001ECA6F85320, 16 bytes long.
Data: < d > A8 64 F8 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001ECA6F7FA30, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001ECA6F85370, 16 bytes long.
Data: < d > 80 64 F8 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001ECA6F7F970, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001ECA6F85460, 16 bytes long.
Data: < c > C8 63 F8 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001ECA6F852D0, 16 bytes long.
Data: < c > A0 63 F8 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001ECA6F85870, 16 bytes long.
Data: <xc > 78 63 F8 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001ECA6F85F50, 16 bytes long.
Data: <Pc > 50 63 F8 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001ECA6F85E60, 16 bytes long.
Data: <(c > 28 63 F8 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001ECA6F85F00, 16 bytes long.
Data: < c > 00 63 F8 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001ECA6F85500, 16 bytes long.
Data: <PM > 50 4D F8 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001ECA6F84D50, 40 bytes long.
Data: < U p > 00 55 F8 A6 EC 01 00 00 70 90 F7 A6 EC 01 00 00
{261} normal block at 0x000001ECA6F85780, 16 bytes long.
Data: < b > E0 62 F8 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001ECA6F85EB0, 16 bytes long.
Data: < b > B8 62 F8 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001ECA6F802D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001ECA6F85AF0, 16 bytes long.
Data: < b > 90 62 F8 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001ECA6F86290, 992 bytes long.
Data: < Z > F0 5A F8 A6 EC 01 00 00 D0 02 F8 A6 EC 01 00 00
{93} normal block at 0x000001ECA6F80450, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001ECA6F7F0E0, 16 bytes long.
Data: < H > 80 48 F8 A6 EC 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001ECA6F84880, 40 bytes long.
Data: < P > E0 F0 F7 A6 EC 01 00 00 50 04 F8 A6 EC 01 00 00
{70} normal block at 0x000001ECA6F7F040, 16 bytes long.
Data: < > 80 EA B5 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001ECA6F7EFF0, 16 bytes long.
Data: <@ > 40 E9 B5 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001ECA6F7E910, 16 bytes long.
Data: < W > F8 57 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001ECA6F7EB90, 16 bytes long.
Data: < W > D8 57 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001ECA6F7E780, 16 bytes long.
Data: <P > 50 04 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001ECA6F7E9B0, 16 bytes long.
Data: <0 > 30 04 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001ECA6F7EAA0, 16 bytes long.
Data: < > E0 02 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001ECA6F7EB40, 16 bytes long.
Data: < > 10 04 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001ECA6F7E960, 16 bytes long.
Data: <p > 70 04 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001ECA6F7EC30, 16 bytes long.
Data: < > 18 C0 B0 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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