Task 38682380
| Name | test_184-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND1419_1 |
| Workunit | 31621199 |
| Created | 27 Oct 2026, 7:35:40 UTC |
| Sent | 27 Oct 2026, 7:35:44 UTC |
| Report deadline | 1 Nov 2026, 7:35:44 UTC |
| Received | 27 Oct 2026, 11:29:38 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 607579 |
| Run time | 30 min 21 sec |
| CPU time | 29 min 28 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 21,377.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 704.62 MB |
| Peak swap size | 9.92 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:36:42 (50852): wrapper (7.9.26016): starting
08:36:42 (50852): 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
08:36:43 (50852): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:36:43 (50852): 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) : {3835481} normal block at 0x000002AE1259F350, 8 bytes long.
Data: < > 00 00 BC 12 AE 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x000002AE1267E5E0, 1080 bytes long.
Data: < 2 > 00 32 00 00 CD CD CD CD D8 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002AE125A1410, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:24:53 (49292): wrapper (7.9.26016): starting
09:24:53 (49292): 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) : {1823} normal block at 0x000001D66A5666E0, 8 bytes long.
Data: < j > 00 00 AB 6A D6 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001D66A566CB0, 1080 bytes long.
Data: < W 0 > C8 57 00 00 CD CD CD CD 30 01 00 00 00 00 00 00
Object dump complete.
09:30:30 (50504): wrapper (7.9.26016): starting
09:30:30 (50504): 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) : {1823} normal block at 0x00000250E33D60F0, 8 bytes long.
Data: < 7 P > 00 00 37 E3 50 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x00000250E33D6CB0, 1080 bytes long.
Data: < L > 0C BB 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
09:40:44 (10900): wrapper (7.9.26016): starting
09:40:44 (10900): 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) : {1823} normal block at 0x000002184A066370, 8 bytes long.
Data: < J > 00 00 02 4A 18 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000002184A066CB0, 1080 bytes long.
Data: < ( > EC AC 00 00 CD CD CD CD 28 01 00 00 00 00 00 00
Object dump complete.
12:23:03 (19768): wrapper (7.9.26016): starting
12:23:03 (19768): 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
12:29:14 (19768): C:/Windows/system32/cmd.exe exited; CPU time 353.062500
12:29:14 (19768): 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: 8504946 bytes.
Dumping objects ->
{1911} normal block at 0x0000027E06924F00, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1900} normal block at 0x0000027E06924C60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1889} normal block at 0x0000027E06924BF0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1878} normal block at 0x0000027E06924E90, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1867} normal block at 0x0000027E06924B10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1836} normal block at 0x0000027E06919470, 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) : {1823} normal block at 0x0000027E06925980, 8 bytes long.
Data: < ~ > 00 00 8C 06 7E 02 00 00
{309} normal block at 0x0000027E069263D0, 8 bytes long.
Data: < l ~ > C0 6C 92 06 7E 02 00 00
{300} normal block at 0x0000027E06917050, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x0000027E06926650, 16 bytes long.
Data: < k ~ > C8 6B 92 06 7E 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000027E06925FC0, 16 bytes long.
Data: < k ~ > A0 6B 92 06 7E 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000027E0691D9A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x0000027E06925B10, 16 bytes long.
Data: <xk ~ > 78 6B 92 06 7E 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000027E06925ED0, 16 bytes long.
Data: <Pk ~ > 50 6B 92 06 7E 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000027E06925F70, 16 bytes long.
Data: <(k ~ > 28 6B 92 06 7E 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000027E06925C00, 16 bytes long.
Data: < k ~ > 00 6B 92 06 7E 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000027E06924DB0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x0000027E06925B60, 16 bytes long.
Data: <h ~ > 68 F6 90 06 7E 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000027E0691D940, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x0000027E06926420, 16 bytes long.
Data: <@ ~ > 40 F6 90 06 7E 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000027E06926600, 16 bytes long.
Data: < ~ > 18 F6 90 06 7E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000027E06926380, 16 bytes long.
Data: < ~ > F0 F5 90 06 7E 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000027E069266F0, 16 bytes long.
Data: < ~ > C8 F5 90 06 7E 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000027E069265B0, 16 bytes long.
Data: < ~ > A0 F5 90 06 7E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000027E06926830, 16 bytes long.
Data: <x ~ > 78 F5 90 06 7E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000027E0691D760, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x0000027E069262E0, 16 bytes long.
Data: <P ~ > 50 F5 90 06 7E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000027E0690F550, 320 bytes long.
Data: < b ~ ` ~ > E0 62 92 06 7E 02 00 00 60 D7 91 06 7E 02 00 00
{279} normal block at 0x0000027E06925AC0, 16 bytes long.
Data: < j ~ > E0 6A 92 06 7E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000027E06926290, 16 bytes long.
Data: < j ~ > B8 6A 92 06 7E 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000027E0691DC40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x0000027E06926240, 16 bytes long.
Data: < j ~ > 90 6A 92 06 7E 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000027E0691DB20, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x0000027E06925BB0, 16 bytes long.
Data: < i ~ > D8 69 92 06 7E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000027E069261A0, 16 bytes long.
Data: < i ~ > B0 69 92 06 7E 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000027E06926470, 16 bytes long.
Data: < i ~ > 88 69 92 06 7E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000027E06926150, 16 bytes long.
Data: <`i ~ > 60 69 92 06 7E 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000027E06925D40, 16 bytes long.
Data: <8i ~ > 38 69 92 06 7E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000027E06925930, 16 bytes long.
Data: < i ~ > 10 69 92 06 7E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000027E06926060, 16 bytes long.
Data: <PP ~ > 50 50 92 06 7E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000027E06925050, 40 bytes long.
Data: <`` ~ p ~ > 60 60 92 06 7E 02 00 00 70 94 91 06 7E 02 00 00
{265} normal block at 0x0000027E06926330, 16 bytes long.
Data: < h ~ > F0 68 92 06 7E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000027E069261F0, 16 bytes long.
Data: < h ~ > C8 68 92 06 7E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000027E0691E0C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x0000027E06926100, 16 bytes long.
Data: < h ~ > A0 68 92 06 7E 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000027E069268A0, 992 bytes long.
Data: < a ~ ~ > 00 61 92 06 7E 02 00 00 C0 E0 91 06 7E 02 00 00
{97} normal block at 0x0000027E0691E180, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x0000027E0691FB80, 16 bytes long.
Data: < ~ > A0 EE 91 06 7E 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000027E0691EEA0, 40 bytes long.
Data: < ~ ~ > 80 FB 91 06 7E 02 00 00 80 E1 91 06 7E 02 00 00
{74} normal block at 0x0000027E0691F630, 16 bytes long.
Data: < > 80 EA BF 01 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000027E0691F090, 16 bytes long.
Data: <@ > 40 E9 BF 01 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000027E0691F3B0, 16 bytes long.
Data: < W > F8 57 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000027E0691FDB0, 16 bytes long.
Data: < W > D8 57 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000027E0691EFF0, 16 bytes long.
Data: <P > 50 04 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000027E0691F180, 16 bytes long.
Data: <0 > 30 04 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000027E0691F220, 16 bytes long.
Data: < > E0 02 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000027E0691FEF0, 16 bytes long.
Data: < > 10 04 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000027E0691F860, 16 bytes long.
Data: <p > 70 04 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000027E0691F310, 16 bytes long.
Data: < > 18 C0 BA 01 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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