Task 38651865
| Name | test_225-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND6833_0 |
| Workunit | 31596161 |
| Created | 24 Oct 2026, 2:43:54 UTC |
| Sent | 24 Oct 2026, 2:49:51 UTC |
| Report deadline | 29 Oct 2026, 2:49:51 UTC |
| Received | 24 Oct 2026, 3:32:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641545 |
| Run time | 26 min 21 sec |
| CPU time | 24 min 59 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 | 696.51 MB |
| Peak swap size | 5.41 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
03:53:58 (22084): wrapper (7.9.26016): starting
03:53:58 (22084): 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
03:53:59 (22084): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:53:59 (22084): 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) : {3835324} normal block at 0x000001E38403D390, 8 bytes long.
Data: < Y > 00 00 59 84 E3 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833986} normal block at 0x000001E38402E590, 1080 bytes long.
Data: <$ > 24 95 00 00 CD CD CD CD B0 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x000001E384042550, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
03:57:45 (10388): wrapper (7.9.26016): starting
03:57:45 (10388): 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\6\tmp already exists.
WARNING: The script pyaml.exe is installed in 'E:\bonic2\slots\6\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\6\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.
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
04:24:24 (10388): C:/Windows/system32/cmd.exe exited; CPU time 1499.781250
04:24:24 (10388): 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: 35360897 bytes.
Dumping objects ->
{1744} normal block at 0x0000022DADC4E760, 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 0x0000022DADC4D630, 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 0x0000022DADC4E110, 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 0x0000022DADC4D750, 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 0x0000022DADC4E3B0, 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 0x0000022DADC4E680, 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 0x0000022DADC54BC0, 8 bytes long.
Data: < - > 00 00 C1 AD 2D 02 00 00
{319} normal block at 0x0000022DADC55430, 8 bytes long.
Data: < b - > C0 62 C5 AD 2D 02 00 00
{310} normal block at 0x0000022DADC47EF0, 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 0x0000022DADC54A30, 16 bytes long.
Data: < a - > C8 61 C5 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x0000022DADC55160, 16 bytes long.
Data: < a - > A0 61 C5 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x0000022DADC4DB10, 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 0x0000022DADC54F30, 16 bytes long.
Data: <xa - > 78 61 C5 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x0000022DADC54EE0, 16 bytes long.
Data: <Pa - > 50 61 C5 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x0000022DADC55700, 16 bytes long.
Data: <(a - > 28 61 C5 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000022DADC55390, 16 bytes long.
Data: < a - > 00 61 C5 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000022DADC4E7D0, 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 0x0000022DADC55610, 16 bytes long.
Data: < - > 08 A2 C4 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000022DADC4DF30, 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 0x0000022DADC553E0, 16 bytes long.
Data: < - > E0 A1 C4 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000022DADC555C0, 16 bytes long.
Data: < - > B8 A1 C4 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000022DADC54E90, 16 bytes long.
Data: < - > 90 A1 C4 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000022DADC55340, 16 bytes long.
Data: <h - > 68 A1 C4 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000022DADC55570, 16 bytes long.
Data: <@ - > 40 A1 C4 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000022DADC55750, 16 bytes long.
Data: < - > 18 A1 C4 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000022DADC4DA50, 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 0x0000022DADC54CB0, 16 bytes long.
Data: < - > F0 A0 C4 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000022DADC4A0F0, 320 bytes long.
Data: < L - P - > B0 4C C5 AD 2D 02 00 00 50 DA C4 AD 2D 02 00 00
{289} normal block at 0x0000022DADC54B70, 16 bytes long.
Data: < ` - > E0 60 C5 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000022DADC54940, 16 bytes long.
Data: < ` - > B8 60 C5 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000022DADC4D9F0, 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 0x0000022DADC54B20, 16 bytes long.
Data: < ` - > 90 60 C5 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000022DADC4D6F0, 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 0x0000022DADC55250, 16 bytes long.
Data: < _ - > D8 5F C5 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000022DADC54AD0, 16 bytes long.
Data: < _ - > B0 5F C5 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000022DADC54800, 16 bytes long.
Data: < _ - > 88 5F C5 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022DADC55520, 16 bytes long.
Data: <`_ - > 60 5F C5 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000022DADC55110, 16 bytes long.
Data: <8_ - > 38 5F C5 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022DADC554D0, 16 bytes long.
Data: < _ - > 10 5F C5 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000022DADC54A80, 16 bytes long.
Data: <0 - > 30 E5 C4 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000022DADC4E530, 40 bytes long.
Data: < J - - > 80 4A C5 AD 2D 02 00 00 80 E6 C4 AD 2D 02 00 00
{275} normal block at 0x0000022DADC54D50, 16 bytes long.
Data: < ^ - > F0 5E C5 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022DADC549E0, 16 bytes long.
Data: < ^ - > C8 5E C5 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000022DADC4D510, 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 0x0000022DADC54990, 16 bytes long.
Data: < ^ - > A0 5E C5 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000022DADC55EA0, 992 bytes long.
Data: < I - - > 90 49 C5 AD 2D 02 00 00 10 D5 C4 AD 2D 02 00 00
{107} normal block at 0x0000022DADC4D870, 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 0x0000022DADC4BCC0, 16 bytes long.
Data: < - > 90 E9 C4 AD 2D 02 00 00 00 00 00 00 00 00 00 00
{105} normal block at 0x0000022DADC4E990, 40 bytes long.
Data: < - p - > C0 BC C4 AD 2D 02 00 00 70 D8 C4 AD 2D 02 00 00
{84} normal block at 0x0000022DADC4BE00, 16 bytes long.
Data: < =^ > 80 EA 3D 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x0000022DADC4C1C0, 16 bytes long.
Data: <@ =^ > 40 E9 3D 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x0000022DADC4C0D0, 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 0x0000022DADC4B770, 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 0x0000022DADC4B5E0, 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 0x0000022DADC4B9F0, 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 0x0000022DADC4B680, 16 bytes long.
Data: < :^ > E0 02 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x0000022DADC4B4A0, 16 bytes long.
Data: < :^ > 10 04 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000022DADC4B630, 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 0x0000022DADC4C210, 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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