Task 38668209
| Name | test_789-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND0010_0 |
| Workunit | 31610758 |
| Created | 25 Oct 2026, 11:03:19 UTC |
| Sent | 25 Oct 2026, 11:03:21 UTC |
| Report deadline | 30 Oct 2026, 11:03:21 UTC |
| Received | 25 Oct 2026, 15:40:15 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 583658 |
| Run time | 56 min 25 sec |
| CPU time | 50 min 8 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,419.60 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 697.25 MB |
| Peak swap size | 3.71 GB |
| Peak disk usage | 4.44 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
08:13:24 (39768): wrapper (7.9.26016): starting
08:13:24 (39768): 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
08:13:26 (39768): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:13:26 (39768): 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) : {3835226} normal block at 0x000002A767B96B60, 8 bytes long.
Data: < Li > 00 00 4C 69 A7 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833950} normal block at 0x000002A7697E2990, 1080 bytes long.
Data: < \ > B8 5C 00 00 CD CD CD CD F8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002A767BA0F00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:43:14 (58036): wrapper (7.9.26016): starting
09:43:14 (58036): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849909} normal block at 0x0000024A29A572B0, 8 bytes long.
Data: < P+J > 00 00 50 2B 4A 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848633} normal block at 0x0000024A2B678DF0, 1080 bytes long.
Data: <pp t > 70 70 00 00 CD CD CD CD 74 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000024A29A611B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:53:06 (32308): wrapper (7.9.26016): starting
09:53:06 (32308): 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 C:\ProgramData\BOINC\slots\1\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849909} normal block at 0x0000027AB1F37030, 8 bytes long.
Data: < z > 00 00 F1 B1 7A 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848633} normal block at 0x0000027AB3AE8DF0, 1080 bytes long.
Data: <8 \ > 38 F2 00 00 CD CD CD CD 5C 00 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000027AB1F411B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:15:37 (39304): wrapper (7.9.26016): starting
10:15:37 (39304): 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 C:\ProgramData\BOINC\slots\1\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849909} normal block at 0x000001E7CFAC7120, 8 bytes long.
Data: < { > 00 00 7B D1 E7 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848633} normal block at 0x000001E7D16A8DF0, 1080 bytes long.
Data: <4 \ > 34 B1 00 00 CD CD CD CD 5C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001E7CFAD11B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:36:45 (19484): wrapper (7.9.26016): starting
11:36:45 (19484): 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 C:\ProgramData\BOINC\slots\1\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
11:39:43 (19484): C:/Windows/system32/cmd.exe exited; CPU time 148.203125
11:39:43 (19484): 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: 4609748 bytes.
Dumping objects ->
{3849998} normal block at 0x000001AF86690BC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849987} normal block at 0x000001AF86690840, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849976} normal block at 0x000001AF86691410, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3849965} normal block at 0x000001AF86690AE0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849954} normal block at 0x000001AF866915D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3849923} normal block at 0x000001AF8673C9D0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849912} normal block at 0x000001AF8679E550, 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) : {3849909} normal block at 0x000001AF84D17290, 8 bytes long.
Data: < Ï„¯ > 00 00 CF 84 AF 01 00 00
{3849257} normal block at 0x000001AF8679E1E0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3848634} normal block at 0x000001AF84D171A0, 8 bytes long.
Data: <p¡y†¯ > 70 A1 79 86 AF 01 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001AF84D224F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001AF84D0B3F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000001AF84D24160, 16 bytes long.
Data: < HÒ„¯ > 18 48 D2 84 AF 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001AF84D23B70, 16 bytes long.
Data: <ðGÒ„¯ > F0 47 D2 84 AF 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001AF84D1CD50, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000001AF84D23A80, 16 bytes long.
Data: <ÈGÒ„¯ > C8 47 D2 84 AF 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001AF84D23A30, 16 bytes long.
Data: < GÒ„¯ > A0 47 D2 84 AF 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001AF84D24390, 16 bytes long.
Data: <xGÒ„¯ > 78 47 D2 84 AF 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001AF84D24250, 16 bytes long.
Data: <PGÒ„¯ > 50 47 D2 84 AF 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001AF84D1B420, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000001AF84D24110, 16 bytes long.
Data: < ¬Ð„¯ > 08 AC D0 84 AF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001AF84D1D170, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000001AF84D24070, 16 bytes long.
Data: <à«Ð„¯ > E0 AB D0 84 AF 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001AF84D24020, 16 bytes long.
Data: <¸«Ð„¯ > B8 AB D0 84 AF 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001AF84D239E0, 16 bytes long.
Data: < «Ð„¯ > 90 AB D0 84 AF 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001AF84D23E90, 16 bytes long.
Data: <h«Ð„¯ > 68 AB D0 84 AF 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001AF84D23850, 16 bytes long.
Data: <@«Ð„¯ > 40 AB D0 84 AF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001AF84D23620, 16 bytes long.
Data: < «Ð„¯ > 18 AB D0 84 AF 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001AF84D1CA50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000001AF84D24430, 16 bytes long.
Data: <ðªÐ„¯ > F0 AA D0 84 AF 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001AF84D0AAF0, 320 bytes long.
Data: <0DÒ„¯ PÊÑ„¯ > 30 44 D2 84 AF 01 00 00 50 CA D1 84 AF 01 00 00
{271} normal block at 0x000001AF84D24340, 16 bytes long.
Data: <0GÒ„¯ > 30 47 D2 84 AF 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001AF84D23990, 16 bytes long.
Data: < GÒ„¯ > 08 47 D2 84 AF 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001AF84D1D3B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000001AF84D23C60, 16 bytes long.
Data: <àFÒ„¯ > E0 46 D2 84 AF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001AF84D1D530, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000001AF84D240C0, 16 bytes long.
Data: <(FÒ„¯ > 28 46 D2 84 AF 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001AF84D23E40, 16 bytes long.
Data: < FÒ„¯ > 00 46 D2 84 AF 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001AF84D23F80, 16 bytes long.
Data: <ØEÒ„¯ > D8 45 D2 84 AF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001AF84D23800, 16 bytes long.
Data: <°EÒ„¯ > B0 45 D2 84 AF 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001AF84D23DF0, 16 bytes long.
Data: < EÒ„¯ > 88 45 D2 84 AF 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001AF84D23C10, 16 bytes long.
Data: <`EÒ„¯ > 60 45 D2 84 AF 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001AF84D242F0, 16 bytes long.
Data: <`²Ñ„¯ > 60 B2 D1 84 AF 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001AF84D1B260, 40 bytes long.
Data: <ðBÒ„¯ ÐÉs†¯ > F0 42 D2 84 AF 01 00 00 D0 C9 73 86 AF 01 00 00
{257} normal block at 0x000001AF84D23AD0, 16 bytes long.
Data: <@EÒ„¯ > 40 45 D2 84 AF 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001AF84D237B0, 16 bytes long.
Data: < EÒ„¯ > 18 45 D2 84 AF 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001AF84D1D410, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000001AF84D23760, 16 bytes long.
Data: <ðDÒ„¯ > F0 44 D2 84 AF 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001AF84D244F0, 992 bytes long.
Data: <`7Ò„¯ ÔÑ„¯ > 60 37 D2 84 AF 01 00 00 10 D4 D1 84 AF 01 00 00
{89} normal block at 0x000001AF84D1CB10, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000001AF84D16B10, 16 bytes long.
Data: <`¹Ñ„¯ > 60 B9 D1 84 AF 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000001AF84D1B960, 40 bytes long.
Data: < kÑ„¯ ËÑ„¯ > 10 6B D1 84 AF 01 00 00 10 CB D1 84 AF 01 00 00
{66} normal block at 0x000001AF84D168E0, 16 bytes long.
Data: < ê ö > 80 EA 81 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001AF84D16750, 16 bytes long.
Data: <@é ö > 40 E9 81 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001AF84D17240, 16 bytes long.
Data: <øW~ ö > F8 57 7E 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001AF84D16E80, 16 bytes long.
Data: <ØW~ ö > D8 57 7E 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001AF84D16F20, 16 bytes long.
Data: <P ~ ö > 50 04 7E 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001AF84D16AC0, 16 bytes long.
Data: <0 ~ ö > 30 04 7E 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001AF84D16CA0, 16 bytes long.
Data: <à ~ ö > E0 02 7E 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001AF84D16C50, 16 bytes long.
Data: < ~ ö > 10 04 7E 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001AF84D16700, 16 bytes long.
Data: <p ~ ö > 70 04 7E 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001AF84D16ED0, 16 bytes long.
Data: < À| ö > 18 C0 7C 11 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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