Task 38683177
| Name | test_836-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND7631_0 |
| Workunit | 31624755 |
| Created | 27 Oct 2026, 10:46:57 UTC |
| Sent | 27 Oct 2026, 10:47:01 UTC |
| Report deadline | 1 Nov 2026, 10:47:01 UTC |
| Received | 27 Oct 2026, 12:24:10 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 575233 |
| Run time | 29 min 23 sec |
| CPU time | 27 min 12 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 11,247.14 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 711.80 MB |
| Peak swap size | 9.79 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
12:51:11 (46668): wrapper (7.9.26016): starting
12:51:11 (46668): 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
12:51:19 (46668): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:51:19 (46668): 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 'D:\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 'D:\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) : {3835190} normal block at 0x0000027DE3BAAE20, 8 bytes long.
Data: < } > 00 00 B8 E3 7D 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833974} normal block at 0x0000027DE583EB10, 1080 bytes long.
Data: <@ > 40 FB 00 00 CD CD CD CD C0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x0000027DE3BB2650, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:15:45 (21176): wrapper (7.9.26016): starting
13:15:45 (21176): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier D:\ProgramData\BOINC\slots\0\tmp existe d‚j….
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
13:23:49 (21176): C:/Windows/system32/cmd.exe exited; CPU time 455.687500
13:23:49 (21176): 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: 10680708 bytes.
Dumping objects ->
{1616} normal block at 0x0000012029885EA0, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1605} normal block at 0x0000012029886220, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1594} normal block at 0x0000012029885FF0, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{1583} normal block at 0x0000012029886290, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1572} normal block at 0x0000012029885E30, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{1541} normal block at 0x0000012029887BD0, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1528} normal block at 0x0000012029886CA0, 8 bytes long.
Data: < ) > 00 00 85 29 20 01 00 00
{313} normal block at 0x00000120298869D0, 8 bytes long.
Data: < ) > D0 80 88 29 20 01 00 00
{304} normal block at 0x0000012029876F80, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{303} normal block at 0x0000012029886BB0, 16 bytes long.
Data: < ) > D8 7F 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000012029886D90, 16 bytes long.
Data: < ) > B0 7F 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001202987F730, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{300} normal block at 0x0000012029886FC0, 16 bytes long.
Data: < ) > 88 7F 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000012029886B60, 16 bytes long.
Data: <` ) > 60 7F 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000012029886F70, 16 bytes long.
Data: <8 ) > 38 7F 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000012029886B10, 16 bytes long.
Data: < ) > 10 7F 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000012029886530, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{295} normal block at 0x0000012029886980, 16 bytes long.
Data: < z ) > 08 7A 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001202987F970, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{293} normal block at 0x0000012029886E30, 16 bytes long.
Data: < y ) > E0 79 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000012029887880, 16 bytes long.
Data: < y ) > B8 79 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000012029886ED0, 16 bytes long.
Data: < y ) > 90 79 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000012029886E80, 16 bytes long.
Data: <hy ) > 68 79 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000012029886A70, 16 bytes long.
Data: <@y ) > 40 79 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000012029887420, 16 bytes long.
Data: < y ) > 18 79 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001202987F3D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{285} normal block at 0x00000120298872E0, 16 bytes long.
Data: < x ) > F0 78 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000120298878F0, 320 bytes long.
Data: < r ) ) > E0 72 88 29 20 01 00 00 D0 F3 87 29 20 01 00 00
{283} normal block at 0x0000012029886930, 16 bytes long.
Data: < ~ ) > F0 7E 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000012029887830, 16 bytes long.
Data: < ~ ) > C8 7E 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001202987FC70, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{280} normal block at 0x0000012029886DE0, 16 bytes long.
Data: < ~ ) > A0 7E 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001202987F550, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{278} normal block at 0x0000012029886D40, 16 bytes long.
Data: < } ) > E8 7D 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000012029887380, 16 bytes long.
Data: < } ) > C0 7D 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000012029887290, 16 bytes long.
Data: < } ) > 98 7D 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000120298877E0, 16 bytes long.
Data: <p} ) > 70 7D 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000012029887240, 16 bytes long.
Data: <H} ) > 48 7D 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000012029886AC0, 16 bytes long.
Data: < } ) > 20 7D 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000012029887470, 16 bytes long.
Data: < d ) > C0 64 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000120298864C0, 40 bytes long.
Data: <pt ) { ) > 70 74 88 29 20 01 00 00 D0 7B 88 29 20 01 00 00
{269} normal block at 0x00000120298873D0, 16 bytes long.
Data: < } ) > 00 7D 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000012029887790, 16 bytes long.
Data: < | ) > D8 7C 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001202987F310, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{266} normal block at 0x0000012029886A20, 16 bytes long.
Data: < | ) > B0 7C 88 29 20 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000012029887CB0, 992 bytes long.
Data: < j ) ) > 20 6A 88 29 20 01 00 00 10 F3 87 29 20 01 00 00
{101} normal block at 0x00000120298800F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{100} normal block at 0x000001202987C5B0, 16 bytes long.
Data: <0 ) > 30 AE 87 29 20 01 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x000001202987AE30, 40 bytes long.
Data: < ) ) > B0 C5 87 29 20 01 00 00 F0 00 88 29 20 01 00 00
{78} normal block at 0x000001202987C0B0, 16 bytes long.
Data: < Z > 80 EA E9 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001202987C510, 16 bytes long.
Data: <@ Z > 40 E9 E9 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001202987BBB0, 16 bytes long.
Data: < W Z > F8 57 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001202987BB60, 16 bytes long.
Data: < W Z > D8 57 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001202987BE80, 16 bytes long.
Data: <P Z > 50 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001202987BE30, 16 bytes long.
Data: <0 Z > 30 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001202987BAC0, 16 bytes long.
Data: < Z > E0 02 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001202987BD90, 16 bytes long.
Data: < Z > 10 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001202987BA70, 16 bytes long.
Data: <p Z > 70 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001202987BB10, 16 bytes long.
Data: < Z > 18 C0 E4 5A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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