| Name | test_664-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND4414_0 |
| Workunit | 31598701 |
| Created | 24 Oct 2026, 8:06:16 UTC |
| Sent | 24 Oct 2026, 8:06:17 UTC |
| Report deadline | 29 Oct 2026, 8:06:17 UTC |
| Received | 24 Oct 2026, 9:47:31 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641545 |
| Run time | 26 min 58 sec |
| CPU time | 25 min 53 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 30,562.35 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 686.16 MB |
| Peak swap size | 5.41 GB |
| Peak disk usage | 3.03 GB |
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
09:12:05 (27560): wrapper (7.9.26016): starting
09:12:05 (27560): 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
09:12:06 (27560): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:12:06 (27560): 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 'E:\bonic2\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 'E:\bonic2\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) : {3835324} normal block at 0x000001C899C8C140, 8 bytes long.
Data: < > 00 00 08 9A C8 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833986} normal block at 0x000001C89B89EAD0, 1080 bytes long.
Data: < > 0C 9B 00 00 CD CD CD CD E8 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x000001C899C90CC0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:22:45 (7204): wrapper (7.9.26016): starting
09:22:45 (7204): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\bonic2\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1656} normal block at 0x0000020257865810, 8 bytes long.
Data: < W > 00 00 C2 57 02 02 00 00
..\lib\diagnostics_win.cpp(417) : {318} normal block at 0x0000020257866140, 1080 bytes long.
Data: <xS P > 78 53 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
09:27:29 (26736): wrapper (7.9.26016): starting
09:27:29 (26736): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\bonic2\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1656} normal block at 0x000001FB34BF4AF0, 8 bytes long.
Data: < 4 > 00 00 B8 34 FB 01 00 00
..\lib\diagnostics_win.cpp(417) : {318} normal block at 0x000001FB34BF6140, 1080 bytes long.
Data: < D > CC BD 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
09:37:28 (42052): wrapper (7.9.26016): starting
09:37:28 (42052): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\bonic2\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
09:53:32 (42052): C:/Windows/system32/cmd.exe exited; CPU time 913.921875
09:53:32 (42052): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 21227699 bytes.
Dumping objects ->
{1744} normal block at 0x0000023BE23AE9A0, 48 bytes long.
Data: <PATH=E:\bonic2\s> 50 41 54 48 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
{1733} normal block at 0x0000023BE23ADBE0, 32 bytes long.
Data: <HOME=E:\bonic2\s> 48 4F 4D 45 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
{1722} normal block at 0x0000023BE23ADF40, 32 bytes long.
Data: <TMP=E:\bonic2\sl> 54 4D 50 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73 6C
{1711} normal block at 0x0000023BE23ADFA0, 32 bytes long.
Data: <TEMP=E:\bonic2\s> 54 45 4D 50 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
{1700} normal block at 0x0000023BE23AE180, 32 bytes long.
Data: <TMPDIR=E:\bonic2> 54 4D 50 44 49 52 3D 45 3A 5C 62 6F 6E 69 63 32
{1669} normal block at 0x0000023BE23AE540, 48 bytes long.
Data: <PATH=E:\bonic2\s> 50 41 54 48 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
..\api\boinc_api.cpp(309) : {1656} normal block at 0x0000023BE23B54E0, 8 bytes long.
Data: < ; > 00 00 95 E2 3B 02 00 00
{319} normal block at 0x0000023BE23B4E00, 8 bytes long.
Data: < b; ; > D0 62 3B E2 3B 02 00 00
{310} normal block at 0x0000023BE23A7A80, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{309} normal block at 0x0000023BE23B52B0, 16 bytes long.
Data: < a; ; > D8 61 3B E2 3B 02 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x0000023BE23B4F40, 16 bytes long.
Data: < a; ; > B0 61 3B E2 3B 02 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x0000023BE23AD7C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{306} normal block at 0x0000023BE23B4B30, 16 bytes long.
Data: < a; ; > 88 61 3B E2 3B 02 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x0000023BE23B4EF0, 16 bytes long.
Data: <`a; ; > 60 61 3B E2 3B 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x0000023BE23B5530, 16 bytes long.
Data: <8a; ; > 38 61 3B E2 3B 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000023BE23B4EA0, 16 bytes long.
Data: < a; ; > 10 61 3B E2 3B 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000023BE23AE930, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{301} normal block at 0x0000023BE23B4A90, 16 bytes long.
Data: < : ; > 18 A2 3A E2 3B 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000023BE23AE0C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{299} normal block at 0x0000023BE23B51C0, 16 bytes long.
Data: < : ; > F0 A1 3A E2 3B 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000023BE23B5170, 16 bytes long.
Data: < : ; > C8 A1 3A E2 3B 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000023BE23B4D10, 16 bytes long.
Data: < : ; > A0 A1 3A E2 3B 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000023BE23B4950, 16 bytes long.
Data: <x : ; > 78 A1 3A E2 3B 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000023BE23B5300, 16 bytes long.
Data: <P : ; > 50 A1 3A E2 3B 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000023BE23B4860, 16 bytes long.
Data: <( : ; > 28 A1 3A E2 3B 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000023BE23AE120, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{291} normal block at 0x0000023BE23B4900, 16 bytes long.
Data: < : ; > 00 A1 3A E2 3B 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000023BE23AA100, 320 bytes long.
Data: < I; ; : ; > 00 49 3B E2 3B 02 00 00 20 E1 3A E2 3B 02 00 00
{289} normal block at 0x0000023BE23B5120, 16 bytes long.
Data: < `; ; > F0 60 3B E2 3B 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023BE23B5260, 16 bytes long.
Data: < `; ; > C8 60 3B E2 3B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023BE23AD4C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{286} normal block at 0x0000023BE23B4C70, 16 bytes long.
Data: < `; ; > A0 60 3B E2 3B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023BE23ADE20, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{284} normal block at 0x0000023BE23B4810, 16 bytes long.
Data: < _; ; > E8 5F 3B E2 3B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023BE23B5080, 16 bytes long.
Data: < _; ; > C0 5F 3B E2 3B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023BE23B4E50, 16 bytes long.
Data: < _; ; > 98 5F 3B E2 3B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023BE23B4D60, 16 bytes long.
Data: <p_; ; > 70 5F 3B E2 3B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023BE23B5030, 16 bytes long.
Data: <H_; ; > 48 5F 3B E2 3B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000023BE23B5760, 16 bytes long.
Data: < _; ; > 20 5F 3B E2 3B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000023BE23B4C20, 16 bytes long.
Data: < : ; > C0 E8 3A E2 3B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000023BE23AE8C0, 40 bytes long.
Data: < L; ; @ : ; > 20 4C 3B E2 3B 02 00 00 40 E5 3A E2 3B 02 00 00
{275} normal block at 0x0000023BE23B5670, 16 bytes long.
Data: < _; ; > 00 5F 3B E2 3B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023BE23B53F0, 16 bytes long.
Data: < ^; ; > D8 5E 3B E2 3B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023BE23AD6A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{272} normal block at 0x0000023BE23B4BD0, 16 bytes long.
Data: < ^; ; > B0 5E 3B E2 3B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000023BE23B5EB0, 992 bytes long.
Data: < K; ; : ; > D0 4B 3B E2 3B 02 00 00 A0 D6 3A E2 3B 02 00 00
{107} normal block at 0x0000023BE23AD700, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{106} normal block at 0x0000023BE23AC360, 16 bytes long.
Data: <p : ; > 70 E7 3A E2 3B 02 00 00 00 00 00 00 00 00 00 00
{105} normal block at 0x0000023BE23AE770, 40 bytes long.
Data: <` : ; : ; > 60 C3 3A E2 3B 02 00 00 00 D7 3A E2 3B 02 00 00
{84} normal block at 0x0000023BE23AB550, 16 bytes long.
Data: < =^ > 80 EA 3D 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x0000023BE23AC2C0, 16 bytes long.
Data: <@ =^ > 40 E9 3D 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x0000023BE23ABDC0, 16 bytes long.
Data: < W:^ > F8 57 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x0000023BE23AC1D0, 16 bytes long.
Data: < W:^ > D8 57 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x0000023BE23AB870, 16 bytes long.
Data: <P :^ > 50 04 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x0000023BE23AC400, 16 bytes long.
Data: <0 :^ > 30 04 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x0000023BE23ABF00, 16 bytes long.
Data: < :^ > E0 02 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x0000023BE23AB500, 16 bytes long.
Data: < :^ > 10 04 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000023BE23AC220, 16 bytes long.
Data: <p :^ > 70 04 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000023BE23AC180, 16 bytes long.
Data: < 8^ > 18 C0 38 5E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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