Task 38685305
| Name | test_491-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND4542_0 |
| Workunit | 31626780 |
| Created | 27 Oct 2026, 20:24:41 UTC |
| Sent | 27 Oct 2026, 20:24:44 UTC |
| Report deadline | 1 Nov 2026, 20:24:44 UTC |
| Received | 27 Oct 2026, 23:48:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 590723 |
| Run time | 52 min 3 sec |
| CPU time | 45 min 22 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,255.46 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 719.74 MB |
| Peak swap size | 8.37 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:31:51 (15164): wrapper (7.9.26016): starting
17:31:51 (15164): 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
17:31:52 (15164): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:31:52 (15164): 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) : {3835420} normal block at 0x000002708E9AEAA0, 8 bytes long.
Data: < p > 00 00 EC 8E 70 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x00000270906FE4C0, 1080 bytes long.
Data: < $ > 8C 24 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002708E9A68A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:55:02 (23628): wrapper (7.9.26016): starting
17:55:02 (23628): 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) : {1762} normal block at 0x000001B407516120, 8 bytes long.
Data: < I > 00 00 49 07 B4 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001B407517000, 1080 bytes long.
Data: < 9 H > F8 39 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
17:58:34 (2564): wrapper (7.9.26016): starting
17:58:34 (2564): 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
18:48:15 (2564): C:/Windows/system32/cmd.exe exited; CPU time 2661.421875
18:48:15 (2564): 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: 46145074 bytes.
Dumping objects ->
{1850} normal block at 0x000002127C316FF0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1839} normal block at 0x000002127C316960, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1828} normal block at 0x000002127C3169D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1817} normal block at 0x000002127C317060, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1806} normal block at 0x000002127C316F80, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1775} normal block at 0x000002127C30C050, 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) : {1762} normal block at 0x000002127C317850, 8 bytes long.
Data: < +| > 00 00 2B 7C 12 02 00 00
{309} normal block at 0x000002127C317FD0, 8 bytes long.
Data: < 1| > 80 87 31 7C 12 02 00 00
{300} normal block at 0x000002127C309170, 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 0x000002127C318020, 16 bytes long.
Data: < 1| > 88 86 31 7C 12 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002127C317C10, 16 bytes long.
Data: <` 1| > 60 86 31 7C 12 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002127C312A80, 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 0x000002127C317D00, 16 bytes long.
Data: <8 1| > 38 86 31 7C 12 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002127C317EE0, 16 bytes long.
Data: < 1| > 10 86 31 7C 12 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002127C317E40, 16 bytes long.
Data: < 1| > E8 85 31 7C 12 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002127C318160, 16 bytes long.
Data: < 1| > C0 85 31 7C 12 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002127C316D50, 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 0x000002127C3174E0, 16 bytes long.
Data: <x 0| > 78 1C 30 7C 12 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002127C3125A0, 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 0x000002127C317DF0, 16 bytes long.
Data: <P 0| > 50 1C 30 7C 12 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002127C3182A0, 16 bytes long.
Data: <( 0| > 28 1C 30 7C 12 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002127C3178F0, 16 bytes long.
Data: < 0| > 00 1C 30 7C 12 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002127C317440, 16 bytes long.
Data: < 0| > D8 1B 30 7C 12 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002127C317A30, 16 bytes long.
Data: < 0| > B0 1B 30 7C 12 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002127C317AD0, 16 bytes long.
Data: < 0| > 88 1B 30 7C 12 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002127C312300, 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 0x000002127C317490, 16 bytes long.
Data: <` 0| > 60 1B 30 7C 12 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002127C301B60, 320 bytes long.
Data: < t1| #1| > 90 74 31 7C 12 02 00 00 00 23 31 7C 12 02 00 00
{279} normal block at 0x000002127C317670, 16 bytes long.
Data: < 1| > A0 85 31 7C 12 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002127C3179E0, 16 bytes long.
Data: <x 1| > 78 85 31 7C 12 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002127C3128A0, 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 0x000002127C3173F0, 16 bytes long.
Data: <P 1| > 50 85 31 7C 12 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002127C312D20, 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 0x000002127C317CB0, 16 bytes long.
Data: < 1| > 98 84 31 7C 12 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002127C317A80, 16 bytes long.
Data: <p 1| > 70 84 31 7C 12 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002127C317990, 16 bytes long.
Data: <H 1| > 48 84 31 7C 12 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002127C317BC0, 16 bytes long.
Data: < 1| > 20 84 31 7C 12 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002127C318250, 16 bytes long.
Data: < 1| > F8 83 31 7C 12 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002127C318110, 16 bytes long.
Data: < 1| > D0 83 31 7C 12 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002127C317F80, 16 bytes long.
Data: < l1| > E0 6C 31 7C 12 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002127C316CE0, 40 bytes long.
Data: < 1| P 0| > 80 7F 31 7C 12 02 00 00 50 C0 30 7C 12 02 00 00
{265} normal block at 0x000002127C317800, 16 bytes long.
Data: < 1| > B0 83 31 7C 12 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002127C317940, 16 bytes long.
Data: < 1| > 88 83 31 7C 12 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002127C312BA0, 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 0x000002127C317B20, 16 bytes long.
Data: <` 1| > 60 83 31 7C 12 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002127C318360, 992 bytes long.
Data: < {1| +1| > 20 7B 31 7C 12 02 00 00 A0 2B 31 7C 12 02 00 00
{97} normal block at 0x000002127C312AE0, 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 0x000002127C310160, 16 bytes long.
Data: < 1| > F0 1A 31 7C 12 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000002127C311AF0, 40 bytes long.
Data: <` 1| *1| > 60 01 31 7C 12 02 00 00 E0 2A 31 7C 12 02 00 00
{74} normal block at 0x000002127C311060, 16 bytes long.
Data: < > 80 EA A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002127C310570, 16 bytes long.
Data: <@ > 40 E9 A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002127C3102F0, 16 bytes long.
Data: < W > F8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002127C310200, 16 bytes long.
Data: < W > D8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002127C3107F0, 16 bytes long.
Data: <P > 50 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002127C310B60, 16 bytes long.
Data: <0 > 30 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002127C3104D0, 16 bytes long.
Data: < > E0 02 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002127C311010, 16 bytes long.
Data: < > 10 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002127C310840, 16 bytes long.
Data: <p > 70 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002127C310B10, 16 bytes long.
Data: < > 18 C0 9B B0 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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