Task 38687993
| Name | test_585-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND8742_0 |
| Workunit | 31629363 |
| Created | 28 Oct 2026, 10:56:55 UTC |
| Sent | 28 Oct 2026, 10:56:56 UTC |
| Report deadline | 2 Nov 2026, 10:56:56 UTC |
| Received | 28 Oct 2026, 12:40:06 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 602451 |
| Run time | 1 hours 41 min 45 sec |
| CPU time | 1 hours 37 min 16 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,200.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 682.59 MB |
| Peak swap size | 5.20 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
11:57:55 (652): wrapper (7.9.26016): starting
11:57:55 (652): 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
11:57:56 (652): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:57:56 (652): 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\1\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\1\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
13:39:51 (652): C:/Windows/system32/cmd.exe exited; CPU time 5836.750000
13:39:51 (652): 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: 98548051 bytes.
Dumping objects ->
{3835513} normal block at 0x000001C3C4B15390, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835502} normal block at 0x000001C3C4B150F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835491} normal block at 0x000001C3C4B14C90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835480} normal block at 0x000001C3C4B14F30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835469} normal block at 0x000001C3C4B14EC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835438} normal block at 0x000001C3C68146C0, 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) : {3835425} normal block at 0x000001C3C4B0EEC0, 8 bytes long.
Data: < ¬Äà > 00 00 AC C4 C3 01 00 00
{3833967} normal block at 0x000001C3C4B0F500, 8 bytes long.
Data: < Jஈ > 20 4A 87 C6 C3 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001C3C4B112F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001C3C4B05A40, 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 0x000001C3C4B15B30, 16 bytes long.
Data: < g±Äà > 88 67 B1 C4 C3 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001C3C4B15EA0, 16 bytes long.
Data: <`g±Äà > 60 67 B1 C4 C3 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001C3C4B10300, 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 0x000001C3C4B15720, 16 bytes long.
Data: <8g±Äà > 38 67 B1 C4 C3 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001C3C4B15A90, 16 bytes long.
Data: < g±Äà > 10 67 B1 C4 C3 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001C3C4B15680, 16 bytes long.
Data: <èf±Äà > E8 66 B1 C4 C3 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001C3C4B15AE0, 16 bytes long.
Data: <Àf±Äà > C0 66 B1 C4 C3 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C3C4B14E50, 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 0x000001C3C4B15630, 16 bytes long.
Data: <X¶¯Äà > 58 B6 AF C4 C3 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C3C4B10420, 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 0x000001C3C4B158B0, 16 bytes long.
Data: <0¶¯Äà > 30 B6 AF C4 C3 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C3C4B16300, 16 bytes long.
Data: < ¶¯Äà > 08 B6 AF C4 C3 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001C3C4B155E0, 16 bytes long.
Data: <൯Äà > E0 B5 AF C4 C3 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C3C4B156D0, 16 bytes long.
Data: <¸µ¯Äà > B8 B5 AF C4 C3 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C3C4B15590, 16 bytes long.
Data: < µ¯Äà > 90 B5 AF C4 C3 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C3C4B15810, 16 bytes long.
Data: <hµ¯Äà > 68 B5 AF C4 C3 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C3C4B0FBE0, 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 0x000001C3C4B16210, 16 bytes long.
Data: <@µ¯Äà > 40 B5 AF C4 C3 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C3C4AFB540, 320 bytes long.
Data: < b±Äà àû°Äà > 10 62 B1 C4 C3 01 00 00 E0 FB B0 C4 C3 01 00 00
{279} normal block at 0x000001C3C4B15CC0, 16 bytes long.
Data: < f±Äà > A0 66 B1 C4 C3 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C3C4B163F0, 16 bytes long.
Data: <xf±Äà > 78 66 B1 C4 C3 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C3C4B0FA60, 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 0x000001C3C4B15860, 16 bytes long.
Data: <Pf±Äà > 50 66 B1 C4 C3 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C3C4B0F9A0, 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 0x000001C3C4B15FE0, 16 bytes long.
Data: < e±Äà > 98 65 B1 C4 C3 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C3C4B157C0, 16 bytes long.
Data: <pe±Äà > 70 65 B1 C4 C3 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C3C4B154A0, 16 bytes long.
Data: <He±Äà > 48 65 B1 C4 C3 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001C3C4B15A40, 16 bytes long.
Data: < e±Äà > 20 65 B1 C4 C3 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C3C4B15E00, 16 bytes long.
Data: <ød±Äà > F8 64 B1 C4 C3 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C3C4B16120, 16 bytes long.
Data: <Ðd±Äà > D0 64 B1 C4 C3 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C3C4B15D10, 16 bytes long.
Data: < P±Äà > 80 50 B1 C4 C3 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C3C4B15080, 40 bytes long.
Data: < ]±Äà ÀF Æà > 10 5D B1 C4 C3 01 00 00 C0 46 81 C6 C3 01 00 00
{265} normal block at 0x000001C3C4B15540, 16 bytes long.
Data: <°d±Äà > B0 64 B1 C4 C3 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C3C4B159A0, 16 bytes long.
Data: < d±Äà > 88 64 B1 C4 C3 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C3C4B0F8E0, 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 0x000001C3C4B16030, 16 bytes long.
Data: <`d±Äà > 60 64 B1 C4 C3 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C3C4B16460, 992 bytes long.
Data: <0`±Äà àø°Äà > 30 60 B1 C4 C3 01 00 00 E0 F8 B0 C4 C3 01 00 00
{97} normal block at 0x000001C3C4B0FB80, 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 0x000001C3C4B0EAB0, 16 bytes long.
Data: < ï¯Äà > 90 EF AF C4 C3 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001C3C4AFEF90, 40 bytes long.
Data: <°ê°ÄÃ û°ÄÃ > B0 EA B0 C4 C3 01 00 00 80 FB B0 C4 C3 01 00 00
{74} normal block at 0x000001C3C4B0E920, 16 bytes long.
Data: < ê»òö > 80 EA BB F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001C3C4B0EE70, 16 bytes long.
Data: <@é»òö > 40 E9 BB F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001C3C4B0EE20, 16 bytes long.
Data: <øW¸òö > F8 57 B8 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001C3C4B0EB50, 16 bytes long.
Data: <ØW¸òö > D8 57 B8 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001C3C4B0F1E0, 16 bytes long.
Data: <P ¸òö > 50 04 B8 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001C3C4B0F5A0, 16 bytes long.
Data: <0 ¸òö > 30 04 B8 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C3C4B0EF60, 16 bytes long.
Data: <à ¸òö > E0 02 B8 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C3C4B0E8D0, 16 bytes long.
Data: < ¸òö > 10 04 B8 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C3C4B0F4B0, 16 bytes long.
Data: <p ¸òö > 70 04 B8 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C3C4B0F820, 16 bytes long.
Data: < À¶òö > 18 C0 B6 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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