Task 38694240
| Name | test_515-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND2744_0 |
| Workunit | 31635002 |
| Created | 30 Oct 2026, 19:49:44 UTC |
| Sent | 30 Oct 2026, 19:49:49 UTC |
| Report deadline | 4 Nov 2026, 19:49:49 UTC |
| Received | 1 Nov 2026, 21:18:29 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 621706 |
| Run time | 33 min 21 sec |
| CPU time | 27 min 45 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,721.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 723.35 MB |
| Peak swap size | 9.90 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:15:10 (27160): wrapper (7.9.26016): starting
16:15:10 (27160): 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
16:15:11 (27160): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:15:11 (27160): 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) : {3835299} normal block at 0x000001F159A1F320, 8 bytes long.
Data: < Y > 00 00 F5 59 F1 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x000001F159AFE9D0, 1080 bytes long.
Data: < # > 98 23 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001F159A20FB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:37:55 (33388): wrapper (7.9.26016): starting
16:37:55 (33388): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1644} normal block at 0x0000020FAE9A6A60, 8 bytes long.
Data: < ? > 00 00 3F B0 0F 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000020FAE9A5090, 1080 bytes long.
Data: <Xq D > 58 71 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
17:17:34 (26864): wrapper (7.9.26016): starting
17:17:34 (26864): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1644} normal block at 0x000001ABC46E5E30, 8 bytes long.
Data: < > 00 00 CB C4 AB 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001ABC46E5090, 1080 bytes long.
Data: <8: D > 38 3A 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
16:13:45 (41892): wrapper (7.9.26016): starting
16:13:45 (41892): 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
16:18:07 (41892): C:/Windows/system32/cmd.exe exited; CPU time 206.843750
16:18:07 (41892): 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: 5597752 bytes.
Dumping objects ->
{1732} normal block at 0x000001ED290D3F00, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1721} normal block at 0x000001ED290D3D40, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1710} normal block at 0x000001ED290D3AA0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1699} normal block at 0x000001ED290D38E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1688} normal block at 0x000001ED290D3B10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1657} normal block at 0x000001ED290C9360, 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) : {1644} normal block at 0x000001ED290D5B10, 8 bytes long.
Data: < m) > 00 00 6D 29 ED 01 00 00
{306} normal block at 0x000001ED290D62E0, 8 bytes long.
Data: < P ) > 90 50 0D 29 ED 01 00 00
{297} normal block at 0x000001ED290C6AC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001ED290D6010, 16 bytes long.
Data: < Y ) > C8 59 0D 29 ED 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001ED290D6290, 16 bytes long.
Data: < Y ) > A0 59 0D 29 ED 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001ED290CDBF0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001ED290D6A10, 16 bytes long.
Data: <xY ) > 78 59 0D 29 ED 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001ED290D64C0, 16 bytes long.
Data: <PY ) > 50 59 0D 29 ED 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001ED290D60B0, 16 bytes long.
Data: <(Y ) > 28 59 0D 29 ED 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001ED290D6830, 16 bytes long.
Data: < Y ) > 00 59 0D 29 ED 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001ED290D3BF0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001ED290D65B0, 16 bytes long.
Data: <8 ) > 38 F5 0B 29 ED 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001ED290CE0D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001ED290D5BB0, 16 bytes long.
Data: < ) > 10 F5 0B 29 ED 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001ED290D6240, 16 bytes long.
Data: < ) > E8 F4 0B 29 ED 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001ED290D5C00, 16 bytes long.
Data: < ) > C0 F4 0B 29 ED 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001ED290D5D40, 16 bytes long.
Data: < ) > 98 F4 0B 29 ED 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001ED290D67E0, 16 bytes long.
Data: <p ) > 70 F4 0B 29 ED 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001ED290D6A60, 16 bytes long.
Data: <H ) > 48 F4 0B 29 ED 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001ED290CD470, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001ED290D61F0, 16 bytes long.
Data: < ) > 20 F4 0B 29 ED 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001ED290BF420, 320 bytes long.
Data: < a ) p ) > F0 61 0D 29 ED 01 00 00 70 D4 0C 29 ED 01 00 00
{276} normal block at 0x000001ED290D66F0, 16 bytes long.
Data: < X ) > E0 58 0D 29 ED 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001ED290D6380, 16 bytes long.
Data: < X ) > B8 58 0D 29 ED 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001ED290CD590, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001ED290D5E30, 16 bytes long.
Data: < X ) > 90 58 0D 29 ED 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001ED290CD650, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001ED290D66A0, 16 bytes long.
Data: < W ) > D8 57 0D 29 ED 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001ED290D6100, 16 bytes long.
Data: < W ) > B0 57 0D 29 ED 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001ED290D6330, 16 bytes long.
Data: < W ) > 88 57 0D 29 ED 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001ED290D61A0, 16 bytes long.
Data: <`W ) > 60 57 0D 29 ED 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001ED290D69C0, 16 bytes long.
Data: <8W ) > 38 57 0D 29 ED 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001ED290CFAF0, 16 bytes long.
Data: < W ) > 10 57 0D 29 ED 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001ED290CF140, 16 bytes long.
Data: <`< ) > 60 3C 0D 29 ED 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001ED290D3C60, 40 bytes long.
Data: <@ ) ` ) > 40 F1 0C 29 ED 01 00 00 60 93 0C 29 ED 01 00 00
{262} normal block at 0x000001ED290CF960, 16 bytes long.
Data: < V ) > F0 56 0D 29 ED 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001ED290CFC30, 16 bytes long.
Data: < V ) > C8 56 0D 29 ED 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001ED290CD4D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001ED290CF780, 16 bytes long.
Data: < V ) > A0 56 0D 29 ED 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001ED290D56A0, 992 bytes long.
Data: < ) ) > 80 F7 0C 29 ED 01 00 00 D0 D4 0C 29 ED 01 00 00
{94} normal block at 0x000001ED290CE310, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001ED290CF550, 16 bytes long.
Data: < > ) > 90 3E 0D 29 ED 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001ED290D3E90, 40 bytes long.
Data: <P ) ) > 50 F5 0C 29 ED 01 00 00 10 E3 0C 29 ED 01 00 00
{71} normal block at 0x000001ED290CED80, 16 bytes long.
Data: < > 80 EA B4 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001ED290CF0A0, 16 bytes long.
Data: <@ > 40 E9 B4 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001ED290CF230, 16 bytes long.
Data: < W > F8 57 B1 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001ED290CF320, 16 bytes long.
Data: < W > D8 57 B1 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001ED290CEFB0, 16 bytes long.
Data: <P > 50 04 B1 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001ED290CF730, 16 bytes long.
Data: <0 > 30 04 B1 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001ED290CFAA0, 16 bytes long.
Data: < > E0 02 B1 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001ED290CF5A0, 16 bytes long.
Data: < > 10 04 B1 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001ED290CFA50, 16 bytes long.
Data: <p > 70 04 B1 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001ED290CF690, 16 bytes long.
Data: < > 18 C0 AF C8 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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