Task 38677724
| Name | test_162-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND7483_0 |
| Workunit | 31619582 |
| Created | 26 Oct 2026, 15:12:37 UTC |
| Sent | 26 Oct 2026, 15:12:43 UTC |
| Report deadline | 31 Oct 2026, 15:12:43 UTC |
| Received | 27 Oct 2026, 2:56:07 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630191 |
| Run time | 36 min 2 sec |
| CPU time | 33 min 23 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,394.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 756.00 MB |
| Peak swap size | 12.92 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:13:55 (30932): wrapper (7.9.26016): starting
22:13:55 (30932): 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
22:13:58 (30932): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:13:58 (30932): 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\11\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\11\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
22:48:38 (30932): C:/Windows/system32/cmd.exe exited; CPU time 2003.578125
22:48:38 (30932): 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: 41473779 bytes.
Dumping objects ->
{3835559} normal block at 0x00000241BD16D8F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835548} normal block at 0x00000241BB495130, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835537} normal block at 0x00000241BB4950C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835526} normal block at 0x00000241BB494E20, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835515} normal block at 0x00000241BB494F70, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835484} normal block at 0x00000241BD1BB240, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835473} normal block at 0x00000241BB4ED800, 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) : {3835470} normal block at 0x00000241BB48D990, 8 bytes long.
Data: < “»A > 00 00 93 BB 41 02 00 00
{3834709} normal block at 0x00000241BB4EE0F0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x00000241BB48E520, 8 bytes long.
Data: < ~ ½A > 20 7E 20 BD 41 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000241BB492040, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000241BB47F920, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x00000241BB496B30, 16 bytes long.
Data: <ÈnI»A > C8 6E 49 BB 41 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000241BB496270, 16 bytes long.
Data: < nI»A > A0 6E 49 BB 41 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000241BB48FAF0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x00000241BB496310, 16 bytes long.
Data: <xnI»A > 78 6E 49 BB 41 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000241BB4967C0, 16 bytes long.
Data: <PnI»A > 50 6E 49 BB 41 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000241BB496680, 16 bytes long.
Data: <(nI»A > 28 6E 49 BB 41 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000241BB495EB0, 16 bytes long.
Data: < nI»A > 00 6E 49 BB 41 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000241BB495210, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x00000241BB496400, 16 bytes long.
Data: <¸êG»A > B8 EA 47 BB 41 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000241BB490510, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x00000241BB4961D0, 16 bytes long.
Data: < êG»A > 90 EA 47 BB 41 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000241BB496770, 16 bytes long.
Data: <hêG»A > 68 EA 47 BB 41 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000241BB4969A0, 16 bytes long.
Data: <@êG»A > 40 EA 47 BB 41 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000241BB4965E0, 16 bytes long.
Data: < êG»A > 18 EA 47 BB 41 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000241BB496AE0, 16 bytes long.
Data: <ðéG»A > F0 E9 47 BB 41 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000241BB496040, 16 bytes long.
Data: <ÈéG»A > C8 E9 47 BB 41 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000241BB48F850, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x00000241BB496590, 16 bytes long.
Data: < éG»A > A0 E9 47 BB 41 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000241BB47E9A0, 320 bytes long.
Data: < eI»A PøH»A > 90 65 49 BB 41 02 00 00 50 F8 48 BB 41 02 00 00
{278} normal block at 0x00000241BB496090, 16 bytes long.
Data: <àmI»A > E0 6D 49 BB 41 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000241BB496810, 16 bytes long.
Data: <¸mI»A > B8 6D 49 BB 41 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000241BB48F7F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x00000241BB496A90, 16 bytes long.
Data: < mI»A > 90 6D 49 BB 41 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000241BB48FCD0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x00000241BB496950, 16 bytes long.
Data: <ØlI»A > D8 6C 49 BB 41 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000241BB496900, 16 bytes long.
Data: <°lI»A > B0 6C 49 BB 41 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000241BB4968B0, 16 bytes long.
Data: < lI»A > 88 6C 49 BB 41 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000241BB496720, 16 bytes long.
Data: <`lI»A > 60 6C 49 BB 41 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000241BB495F00, 16 bytes long.
Data: <8lI»A > 38 6C 49 BB 41 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000241BB496180, 16 bytes long.
Data: < lI»A > 10 6C 49 BB 41 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000241BB496360, 16 bytes long.
Data: < QI»A > A0 51 49 BB 41 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000241BB4951A0, 40 bytes long.
Data: <`cI»A @² ½A > 60 63 49 BB 41 02 00 00 40 B2 1B BD 41 02 00 00
{264} normal block at 0x00000241BB496540, 16 bytes long.
Data: <ðkI»A > F0 6B 49 BB 41 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000241BB496860, 16 bytes long.
Data: <ÈkI»A > C8 6B 49 BB 41 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000241BB48F910, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x00000241BB4966D0, 16 bytes long.
Data: < kI»A > A0 6B 49 BB 41 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000241BB496BA0, 992 bytes long.
Data: <ÐfI»A ùH»A > D0 66 49 BB 41 02 00 00 10 F9 48 BB 41 02 00 00
{96} normal block at 0x00000241BB490390, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x00000241BB48E430, 16 bytes long.
Data: <PöH»A > 50 F6 48 BB 41 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x00000241BB48F650, 40 bytes long.
Data: <0äH»A I»A > 30 E4 48 BB 41 02 00 00 90 03 49 BB 41 02 00 00
{73} normal block at 0x00000241BB48E110, 16 bytes long.
Data: < ê1P÷ > 80 EA 31 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000241BB48D670, 16 bytes long.
Data: <@é1P÷ > 40 E9 31 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000241BB48D8F0, 16 bytes long.
Data: <øW.P÷ > F8 57 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000241BB48D710, 16 bytes long.
Data: <ØW.P÷ > D8 57 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000241BB48E070, 16 bytes long.
Data: <P .P÷ > 50 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000241BB48DDF0, 16 bytes long.
Data: <0 .P÷ > 30 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000241BB48E020, 16 bytes long.
Data: <à .P÷ > E0 02 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000241BB48DBC0, 16 bytes long.
Data: < .P÷ > 10 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000241BB48E1B0, 16 bytes long.
Data: <p .P÷ > 70 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000241BB48D6C0, 16 bytes long.
Data: < À,P÷ > 18 C0 2C 50 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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