Task 38687209
| Name | test_890-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND1008_0 |
| Workunit | 31628605 |
| Created | 28 Oct 2026, 6:32:45 UTC |
| Sent | 28 Oct 2026, 6:32:53 UTC |
| Report deadline | 2 Nov 2026, 6:32:53 UTC |
| Received | 28 Oct 2026, 8:50:20 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 635377 |
| Run time | 1 hours 14 min 4 sec |
| CPU time | 1 hours 9 min 21 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,492.58 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 723.87 MB |
| Peak swap size | 6.91 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:34:21 (3188): wrapper (7.9.26016): starting
07:34:21 (3188): 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
07:34:23 (3188): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:34:23 (3188): 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\10\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\10\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) : {3835549} normal block at 0x000001FCFC1FDF60, 8 bytes long.
Data: < s > 00 00 73 FC FC 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x000001FCFE085E50, 1080 bytes long.
Data: < R l > B4 52 00 00 CD CD CD CD 6C 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001FCFC2020F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:36:39 (18576): wrapper (7.9.26016): starting
09:36:39 (18576): 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\10\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
09:49:40 (18576): C:/Windows/system32/cmd.exe exited; CPU time 664.687500
09:49:40 (18576): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 12544911 bytes.
Dumping objects ->
{1980} normal block at 0x000002517F6B78F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1969} normal block at 0x000002517F6B7650, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1958} normal block at 0x000002517F6B7490, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1947} normal block at 0x000002517F6B7A40, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1936} normal block at 0x000002517F6B75E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1905} normal block at 0x000002517F6AF4C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1894} normal block at 0x000002517F6AAE10, 200 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) : {1891} normal block at 0x000002517F6B8B20, 8 bytes long.
Data: < Q > 00 00 AF 7F 51 02 00 00
{1087} normal block at 0x000002517F6AAF20, 200 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{309} normal block at 0x000002517F6B8D50, 8 bytes long.
Data: <0 k Q > 30 92 6B 7F 51 02 00 00
{300} normal block at 0x000002517F6A6BD0, 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 0x000002517F6B8C10, 16 bytes long.
Data: <8 k Q > 38 91 6B 7F 51 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002517F6B8CB0, 16 bytes long.
Data: < k Q > 10 91 6B 7F 51 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002517F6B0360, 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 0x000002517F6B86C0, 16 bytes long.
Data: < k Q > E8 90 6B 7F 51 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002517F6B8BC0, 16 bytes long.
Data: < k Q > C0 90 6B 7F 51 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002517F6B85D0, 16 bytes long.
Data: < k Q > 98 90 6B 7F 51 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002517F6B8530, 16 bytes long.
Data: <p k Q > 70 90 6B 7F 51 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002517F6B7570, 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 0x000002517F6B8670, 16 bytes long.
Data: <h j Q > 68 96 6A 7F 51 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002517F6B0180, 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 0x000002517F6B8210, 16 bytes long.
Data: <@ j Q > 40 96 6A 7F 51 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002517F6B8080, 16 bytes long.
Data: < j Q > 18 96 6A 7F 51 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002517F6B81C0, 16 bytes long.
Data: < j Q > F0 95 6A 7F 51 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002517F6B88A0, 16 bytes long.
Data: < j Q > C8 95 6A 7F 51 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002517F6B8120, 16 bytes long.
Data: < j Q > A0 95 6A 7F 51 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002517F6B8B70, 16 bytes long.
Data: <x j Q > 78 95 6A 7F 51 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002517F6B0240, 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 0x000002517F6B8C60, 16 bytes long.
Data: <P j Q > 50 95 6A 7F 51 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002517F6A9550, 320 bytes long.
Data: <` k Q @ k Q > 60 8C 6B 7F 51 02 00 00 40 02 6B 7F 51 02 00 00
{279} normal block at 0x000002517F6B7F40, 16 bytes long.
Data: <P k Q > 50 90 6B 7F 51 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002517F6B8170, 16 bytes long.
Data: <( k Q > 28 90 6B 7F 51 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002517F6AF760, 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 0x000002517F6B8800, 16 bytes long.
Data: < k Q > 00 90 6B 7F 51 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002517F6AF9A0, 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 0x000002517F6B8490, 16 bytes long.
Data: <H k Q > 48 8F 6B 7F 51 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002517F6B7FE0, 16 bytes long.
Data: < k Q > 20 8F 6B 7F 51 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002517F6B7E50, 16 bytes long.
Data: < k Q > F8 8E 6B 7F 51 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002517F6B8440, 16 bytes long.
Data: < k Q > D0 8E 6B 7F 51 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002517F6B83F0, 16 bytes long.
Data: < k Q > A8 8E 6B 7F 51 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002517F6B8710, 16 bytes long.
Data: < k Q > 80 8E 6B 7F 51 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002517F6B83A0, 16 bytes long.
Data: < yk Q > D0 79 6B 7F 51 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002517F6B79D0, 40 bytes long.
Data: < k Q j Q > A0 83 6B 7F 51 02 00 00 C0 F4 6A 7F 51 02 00 00
{265} normal block at 0x000002517F6B8AD0, 16 bytes long.
Data: <` k Q > 60 8E 6B 7F 51 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002517F6B8A30, 16 bytes long.
Data: <8 k Q > 38 8E 6B 7F 51 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002517F6AF940, 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 0x000002517F6B8350, 16 bytes long.
Data: < k Q > 10 8E 6B 7F 51 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002517F6B8E10, 992 bytes long.
Data: <P k Q @ j Q > 50 83 6B 7F 51 02 00 00 40 F9 6A 7F 51 02 00 00
{97} normal block at 0x000002517F6B00C0, 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 0x000002517F6AE0D0, 16 bytes long.
Data: < uk Q > 00 75 6B 7F 51 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000002517F6B7500, 40 bytes long.
Data: < j Q k Q > D0 E0 6A 7F 51 02 00 00 C0 00 6B 7F 51 02 00 00
{74} normal block at 0x000002517F6ADF90, 16 bytes long.
Data: < > 80 EA BE 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002517F6AE670, 16 bytes long.
Data: <@ > 40 E9 BE 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002517F6AE350, 16 bytes long.
Data: < W > F8 57 BB 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002517F6ADE00, 16 bytes long.
Data: < W > D8 57 BB 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002517F6AE4E0, 16 bytes long.
Data: <P > 50 04 BB 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002517F6ADCC0, 16 bytes long.
Data: <0 > 30 04 BB 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002517F6AD7C0, 16 bytes long.
Data: < > E0 02 BB 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002517F6ADA40, 16 bytes long.
Data: < > 10 04 BB 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002517F6ADC70, 16 bytes long.
Data: <p > 70 04 BB 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002517F6ADC20, 16 bytes long.
Data: < > 18 C0 B9 8A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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