Task 38673281
| Name | test_700-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND2043_0 |
| Workunit | 31615373 |
| Created | 26 Oct 2026, 2:01:36 UTC |
| Sent | 26 Oct 2026, 2:01:41 UTC |
| Report deadline | 31 Oct 2026, 2:01:41 UTC |
| Received | 26 Oct 2026, 3:45:07 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648153 |
| Run time | 1 hours 13 min 39 sec |
| CPU time | 59 min 48 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,741.16 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 698.93 MB |
| Peak swap size | 6.86 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
21:05:05 (27964): wrapper (7.9.26016): starting
21:05:05 (27964): 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
21:05:09 (27964): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:05:09 (27964): 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) : {3835161} normal block at 0x00000180B717CAD0, 8 bytes long.
Data: < b > 00 00 62 B7 80 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833976} normal block at 0x00000180B8D45F30, 1080 bytes long.
Data: <0 > 30 B2 00 00 CD CD CD CD B4 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x00000180B7170040, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
22:10:53 (40364): wrapper (7.9.26016): starting
22:10:53 (40364): 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) : {1498} normal block at 0x00000193FE4C7A80, 8 bytes long.
Data: < > 00 00 A1 FE 93 01 00 00
..\lib\diagnostics_win.cpp(417) : {313} normal block at 0x00000193FE4C6A70, 1080 bytes long.
Data: < T > FC C9 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
Object dump complete.
22:25:15 (49928): wrapper (7.9.26016): starting
22:25:15 (49928): 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
22:44:39 (49928): C:/Windows/system32/cmd.exe exited; CPU time 809.703125
22:44:39 (49928): 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: 29567194 bytes.
Dumping objects ->
{1586} normal block at 0x0000021D94B957A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1575} normal block at 0x0000021D94B95570, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1564} normal block at 0x0000021D94B95A40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1553} normal block at 0x0000021D94B95730, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1542} normal block at 0x0000021D94B956C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1511} normal block at 0x0000021D94B80440, 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) : {1498} normal block at 0x0000021D94B97F40, 8 bytes long.
Data: < > 00 00 B3 94 1D 02 00 00
{314} normal block at 0x0000021D94B97810, 8 bytes long.
Data: < l > B0 6C B9 94 1D 02 00 00
{305} normal block at 0x0000021D94B87D50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{304} normal block at 0x0000021D94B978B0, 16 bytes long.
Data: < > F8 85 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000021D94B97A90, 16 bytes long.
Data: < > D0 85 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000021D94B900E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{301} normal block at 0x0000021D94B97CC0, 16 bytes long.
Data: < > A8 85 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000021D94B97C20, 16 bytes long.
Data: < > 80 85 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000021D94B97860, 16 bytes long.
Data: <X > 58 85 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000021D94B97FE0, 16 bytes long.
Data: <0 > 30 85 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000021D94B95960, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{296} normal block at 0x0000021D94B97EF0, 16 bytes long.
Data: < > 88 A7 B8 94 1D 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000021D94B903E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{294} normal block at 0x0000021D94B97B30, 16 bytes long.
Data: <` > 60 A7 B8 94 1D 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000021D94B98120, 16 bytes long.
Data: <8 > 38 A7 B8 94 1D 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000021D94B97590, 16 bytes long.
Data: < > 10 A7 B8 94 1D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000021D94B98210, 16 bytes long.
Data: < > E8 A6 B8 94 1D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000021D94B97F90, 16 bytes long.
Data: < > C0 A6 B8 94 1D 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000021D94B980D0, 16 bytes long.
Data: < > 98 A6 B8 94 1D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000021D94B90680, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{286} normal block at 0x0000021D94B97D10, 16 bytes long.
Data: <p > 70 A6 B8 94 1D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000021D94B8A670, 320 bytes long.
Data: < } > 10 7D B9 94 1D 02 00 00 80 06 B9 94 1D 02 00 00
{284} normal block at 0x0000021D94B98080, 16 bytes long.
Data: < > 10 85 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021D94B97400, 16 bytes long.
Data: < > E8 84 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021D94B90F20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{281} normal block at 0x0000021D94B97AE0, 16 bytes long.
Data: < > C0 84 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000021D94B90140, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{279} normal block at 0x0000021D94B981C0, 16 bytes long.
Data: < > 08 84 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000021D94B97DB0, 16 bytes long.
Data: < > E0 83 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000021D94B977C0, 16 bytes long.
Data: < > B8 83 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021D94B97360, 16 bytes long.
Data: < > 90 83 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000021D94B974A0, 16 bytes long.
Data: <h > 68 83 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000021D94B97770, 16 bytes long.
Data: <@ > 40 83 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000021D94B97680, 16 bytes long.
Data: < X > F0 58 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021D94B958F0, 40 bytes long.
Data: < v @ > 80 76 B9 94 1D 02 00 00 40 04 B8 94 1D 02 00 00
{270} normal block at 0x0000021D94B975E0, 16 bytes long.
Data: < > 20 83 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021D94B97E50, 16 bytes long.
Data: < > F8 82 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000021D94B907A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{267} normal block at 0x0000021D94B97720, 16 bytes long.
Data: < > D0 82 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000021D94B982D0, 992 bytes long.
Data: < w > 20 77 B9 94 1D 02 00 00 A0 07 B9 94 1D 02 00 00
{102} normal block at 0x0000021D94B90980, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{101} normal block at 0x0000021D94B8C050, 16 bytes long.
Data: <PV > 50 56 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00
{100} normal block at 0x0000021D94B95650, 40 bytes long.
Data: <P > 50 C0 B8 94 1D 02 00 00 80 09 B9 94 1D 02 00 00
{79} normal block at 0x0000021D94B8BAB0, 16 bytes long.
Data: < M > 80 EA 82 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x0000021D94B8C1E0, 16 bytes long.
Data: <@ M > 40 E9 82 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x0000021D94B8BCE0, 16 bytes long.
Data: < W M > F8 57 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000021D94B8C5A0, 16 bytes long.
Data: < W M > D8 57 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000021D94B8BC90, 16 bytes long.
Data: <P M > 50 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000021D94B8B970, 16 bytes long.
Data: <0 M > 30 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000021D94B8C190, 16 bytes long.
Data: < M > E0 02 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000021D94B8B9C0, 16 bytes long.
Data: < M > 10 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000021D94B8C3C0, 16 bytes long.
Data: <p M > 70 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000021D94B8C000, 16 bytes long.
Data: < }M > 18 C0 7D 4D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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