Task 38698216
| Name | test_838-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND3376_0 |
| Workunit | 31638746 |
| Created | 2 Nov 2026, 6:18:09 UTC |
| Sent | 2 Nov 2026, 6:18:19 UTC |
| Report deadline | 7 Nov 2026, 6:18:19 UTC |
| Received | 2 Nov 2026, 20:31:37 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 615338 |
| Run time | 1 hours 40 min 20 sec |
| CPU time | 1 hours 20 min 57 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 11,339.30 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 723.88 MB |
| Peak swap size | 8.43 GB |
| Peak disk usage | 4.06 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:28:19 (39500): wrapper (7.9.26016): starting
01:28:19 (39500): 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
01:28:26 (39500): Library/usr/bin/tar.exe exited; CPU time 0.062500
01:28:27 (39500): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ProtocolError('Connection aborted.', ConnectionResetError(10054, 'An existing connection was forcibly closed by the remote host', None, 10054, None))': /simple/pyaml/
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\23\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: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ProtocolError('Connection aborted.', ConnectionResetError(10054, 'An existing connection was forcibly closed by the remote host', None, 10054, None))': /simple/atom-openmm/
WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'SSLError(SSLError(5, '[SYS] unknown error (_ssl.c:2427)'))': /simple/atom-openmm/
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\23\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.
14:07:15 (6492): wrapper (7.9.26016): starting
14:07:15 (6492): 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\23\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
15:28:04 (6492): C:/Windows/system32/cmd.exe exited; CPU time 4264.406250
15:28:04 (6492): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 66454441 bytes.
Dumping objects ->
{1864} normal block at 0x000001FE00275370, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1853} normal block at 0x000001FE00274DC0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1842} normal block at 0x000001FE00274CE0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1831} normal block at 0x000001FE00274F10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1820} normal block at 0x000001FE00274D50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1789} normal block at 0x000001FE002749A0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1778} normal block at 0x000001FE0025D630, 140 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) : {1775} normal block at 0x000001FE00276700, 8 bytes long.
Data: < s > 00 00 73 00 FE 01 00 00
{1032} normal block at 0x000001FE0025C470, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{306} normal block at 0x000001FE00275BC0, 8 bytes long.
Data: < n' > 10 6E 27 00 FE 01 00 00
{297} normal block at 0x000001FE00267020, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001FE00276430, 16 bytes long.
Data: < m' > 18 6D 27 00 FE 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FE00276160, 16 bytes long.
Data: < l' > F0 6C 27 00 FE 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FE0026FD80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001FE002763E0, 16 bytes long.
Data: < l' > C8 6C 27 00 FE 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FE00275B70, 16 bytes long.
Data: < l' > A0 6C 27 00 FE 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001FE002762F0, 16 bytes long.
Data: <xl' > 78 6C 27 00 FE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FE002768E0, 16 bytes long.
Data: <Pl' > 50 6C 27 00 FE 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FE00275220, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001FE002767A0, 16 bytes long.
Data: < & > 88 94 26 00 FE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FE00270020, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001FE00276890, 16 bytes long.
Data: <` & > 60 94 26 00 FE 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FE002761B0, 16 bytes long.
Data: <8 & > 38 94 26 00 FE 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FE002762A0, 16 bytes long.
Data: < & > 10 94 26 00 FE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FE00276110, 16 bytes long.
Data: < & > E8 93 26 00 FE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FE002766B0, 16 bytes long.
Data: < & > C0 93 26 00 FE 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FE00276520, 16 bytes long.
Data: < & > 98 93 26 00 FE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FE0026FCC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001FE00276390, 16 bytes long.
Data: <p & > 70 93 26 00 FE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FE00269370, 320 bytes long.
Data: < c' & > 90 63 27 00 FE 01 00 00 C0 FC 26 00 FE 01 00 00
{276} normal block at 0x000001FE00275E90, 16 bytes long.
Data: <0l' > 30 6C 27 00 FE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FE00276750, 16 bytes long.
Data: < l' > 08 6C 27 00 FE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FE0026FFC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001FE00275A30, 16 bytes long.
Data: < k' > E0 6B 27 00 FE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FE0026FF60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001FE002764D0, 16 bytes long.
Data: <(k' > 28 6B 27 00 FE 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FE00276840, 16 bytes long.
Data: < k' > 00 6B 27 00 FE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FE00275E40, 16 bytes long.
Data: < j' > D8 6A 27 00 FE 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FE00276980, 16 bytes long.
Data: < j' > B0 6A 27 00 FE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FE00275DF0, 16 bytes long.
Data: < j' > 88 6A 27 00 FE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FE002767F0, 16 bytes long.
Data: <`j' > 60 6A 27 00 FE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FE002760C0, 16 bytes long.
Data: < N' > A0 4E 27 00 FE 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FE00274EA0, 40 bytes long.
Data: < `' I' > C0 60 27 00 FE 01 00 00 A0 49 27 00 FE 01 00 00
{262} normal block at 0x000001FE00275DA0, 16 bytes long.
Data: <@j' > 40 6A 27 00 FE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FE00276610, 16 bytes long.
Data: < j' > 18 6A 27 00 FE 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FE0026F8A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001FE00276250, 16 bytes long.
Data: < i' > F0 69 27 00 FE 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001FE002769F0, 992 bytes long.
Data: <Pb' & > 50 62 27 00 FE 01 00 00 A0 F8 26 00 FE 01 00 00
{94} normal block at 0x000001FE00270080, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001FE0026E530, 16 bytes long.
Data: <@ % > 40 CA 25 00 FE 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001FE0025CA40, 40 bytes long.
Data: <0 & ' > 30 E5 26 00 FE 01 00 00 80 00 27 00 FE 01 00 00
{71} normal block at 0x000001FE0026E3F0, 16 bytes long.
Data: < > 80 EA 1E E2 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001FE0026DB30, 16 bytes long.
Data: <@ > 40 E9 1E E2 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FE0026D770, 16 bytes long.
Data: < W > F8 57 1B E2 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FE0026D7C0, 16 bytes long.
Data: < W > D8 57 1B E2 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FE0026D630, 16 bytes long.
Data: <P > 50 04 1B E2 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FE0026E170, 16 bytes long.
Data: <0 > 30 04 1B E2 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FE0026DD10, 16 bytes long.
Data: < > E0 02 1B E2 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FE0026E440, 16 bytes long.
Data: < > 10 04 1B E2 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FE0026D720, 16 bytes long.
Data: <p > 70 04 1B E2 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FE0026E300, 16 bytes long.
Data: < > 18 C0 19 E2 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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