Task 38662100
| Name | test_1466-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND6424_2 |
| Workunit | 31603002 |
| Created | 24 Oct 2026, 17:40:53 UTC |
| Sent | 24 Oct 2026, 17:41:08 UTC |
| Report deadline | 29 Oct 2026, 17:41:08 UTC |
| Received | 24 Oct 2026, 21:06:52 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 592657 |
| Run time | 25 min 18 sec |
| CPU time | 23 min 14 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 35,585.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 707.10 MB |
| Peak swap size | 10.01 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:15:17 (50832): wrapper (7.9.26016): starting
14:15:17 (50832): 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
14:15:18 (50832): Library/usr/bin/tar.exe exited; CPU time 0.031250
14:15:18 (50832): 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) : {3835165} normal block at 0x00000230B6E3D610, 8 bytes long.
Data: < 0 > 00 00 96 B8 30 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833994} normal block at 0x00000230B8C1A640, 1080 bytes long.
Data: < > 04 BB 00 00 CD CD CD CD C0 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {329} normal block at 0x00000230B6E37F80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:14:14 (37172): wrapper (7.9.26016): starting
15:14:14 (37172): 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
15:35:16 (37172): C:/Windows/system32/cmd.exe exited; CPU time 1230.921875
15:35:16 (37172): 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: 37246120 bytes.
Dumping objects ->
{1581} normal block at 0x00000217DC7BFAF0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1570} normal block at 0x00000217DC7BFE00, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1559} normal block at 0x00000217DC7BFD90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1548} normal block at 0x00000217DC7BFD20, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1537} normal block at 0x00000217DC7BFB60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1506} normal block at 0x00000217DC7B1210, 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) : {1493} normal block at 0x00000217DC7C5CE0, 8 bytes long.
Data: < > 00 00 C6 DC 17 02 00 00
{323} normal block at 0x00000217DC7C5F60, 8 bytes long.
Data: < M| > 20 4D 7C DC 17 02 00 00
{314} normal block at 0x00000217DC7B8810, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{313} normal block at 0x00000217DC7C5920, 16 bytes long.
Data: <hf| > 68 66 7C DC 17 02 00 00 00 00 00 00 00 00 00 00
{312} normal block at 0x00000217DC7C5A60, 16 bytes long.
Data: <@f| > 40 66 7C DC 17 02 00 00 00 00 00 00 00 00 00 00
{311} normal block at 0x00000217DC7BEDF0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{310} normal block at 0x00000217DC7C5C90, 16 bytes long.
Data: < f| > 18 66 7C DC 17 02 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x00000217DC7C5B00, 16 bytes long.
Data: < e| > F0 65 7C DC 17 02 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x00000217DC7C5C40, 16 bytes long.
Data: < e| > C8 65 7C DC 17 02 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x00000217DC7C56A0, 16 bytes long.
Data: < e| > A0 65 7C DC 17 02 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x00000217DC7BFA80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{305} normal block at 0x00000217DC7C5560, 16 bytes long.
Data: < z > 98 D9 7A DC 17 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x00000217DC7BF0F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{303} normal block at 0x00000217DC7C5BA0, 16 bytes long.
Data: <p z > 70 D9 7A DC 17 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000217DC7C5420, 16 bytes long.
Data: <H z > 48 D9 7A DC 17 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000217DC7C53D0, 16 bytes long.
Data: < z > 20 D9 7A DC 17 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000217DC7C6230, 16 bytes long.
Data: < z > F8 D8 7A DC 17 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000217DC7C5880, 16 bytes long.
Data: < z > D0 D8 7A DC 17 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000217DC7C5650, 16 bytes long.
Data: < z > A8 D8 7A DC 17 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000217DC7BF510, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{295} normal block at 0x00000217DC7C62D0, 16 bytes long.
Data: < z > 80 D8 7A DC 17 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000217DC7AD880, 320 bytes long.
Data: < b| { > D0 62 7C DC 17 02 00 00 10 F5 7B DC 17 02 00 00
{293} normal block at 0x00000217DC7C60F0, 16 bytes long.
Data: < e| > 80 65 7C DC 17 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000217DC7C60A0, 16 bytes long.
Data: <Xe| > 58 65 7C DC 17 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000217DC7BEF70, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{290} normal block at 0x00000217DC7C5A10, 16 bytes long.
Data: <0e| > 30 65 7C DC 17 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000217DC7BEB50, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{288} normal block at 0x00000217DC7C6280, 16 bytes long.
Data: <xd| > 78 64 7C DC 17 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000217DC7C5830, 16 bytes long.
Data: <Pd| > 50 64 7C DC 17 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000217DC7C6140, 16 bytes long.
Data: <(d| > 28 64 7C DC 17 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000217DC7C5740, 16 bytes long.
Data: < d| > 00 64 7C DC 17 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000217DC7C56F0, 16 bytes long.
Data: < c| > D8 63 7C DC 17 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000217DC7C61E0, 16 bytes long.
Data: < c| > B0 63 7C DC 17 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000217DC7C5DD0, 16 bytes long.
Data: <@ { > 40 FC 7B DC 17 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000217DC7BFC40, 40 bytes long.
Data: < ]| { > D0 5D 7C DC 17 02 00 00 10 12 7B DC 17 02 00 00
{279} normal block at 0x00000217DC7C5380, 16 bytes long.
Data: < c| > 90 63 7C DC 17 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000217DC7C59C0, 16 bytes long.
Data: <hc| > 68 63 7C DC 17 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000217DC7BF4B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{276} normal block at 0x00000217DC7C5B50, 16 bytes long.
Data: <@c| > 40 63 7C DC 17 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000217DC7C6340, 992 bytes long.
Data: <P[| { > 50 5B 7C DC 17 02 00 00 B0 F4 7B DC 17 02 00 00
{111} normal block at 0x00000217DC7BF390, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{110} normal block at 0x00000217DC7BC8A0, 16 bytes long.
Data: < { > B0 FC 7B DC 17 02 00 00 00 00 00 00 00 00 00 00
{109} normal block at 0x00000217DC7BFCB0, 40 bytes long.
Data: < { { > A0 C8 7B DC 17 02 00 00 90 F3 7B DC 17 02 00 00
{88} normal block at 0x00000217DC7BD430, 16 bytes long.
Data: < ) > 80 EA 10 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x00000217DC7BCF30, 16 bytes long.
Data: <@ ) > 40 E9 10 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x00000217DC7BCE40, 16 bytes long.
Data: < W ) > F8 57 0D 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x00000217DC7BD2A0, 16 bytes long.
Data: < W ) > D8 57 0D 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x00000217DC7BD610, 16 bytes long.
Data: <P ) > 50 04 0D 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x00000217DC7BD0C0, 16 bytes long.
Data: <0 ) > 30 04 0D 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x00000217DC7BCEE0, 16 bytes long.
Data: < ) > E0 02 0D 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x00000217DC7BD070, 16 bytes long.
Data: < ) > 10 04 0D 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x00000217DC7BCE90, 16 bytes long.
Data: <p ) > 70 04 0D 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x00000217DC7BCB20, 16 bytes long.
Data: < ) > 18 C0 0B 29 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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