Task 38670698
| Name | test_251-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND8186_0 |
| Workunit | 31612929 |
| Created | 25 Oct 2026, 18:19:12 UTC |
| Sent | 25 Oct 2026, 18:19:19 UTC |
| Report deadline | 30 Oct 2026, 18:19:19 UTC |
| Received | 25 Oct 2026, 20:06:17 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654147 |
| Run time | 34 min 51 sec |
| CPU time | 31 min 46 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 7,069.21 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 695.37 MB |
| Peak swap size | 5.25 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:29:43 (19484): wrapper (7.9.26016): starting
20:29:43 (19484): 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
20:29:45 (19484): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:29:45 (19484): 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\4\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\4\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
21:03:17 (19484): C:/Windows/system32/cmd.exe exited; CPU time 1906.984375
21:03:17 (19484): 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: 32881321 bytes.
Dumping objects ->
{3835197} normal block at 0x0000023D6CBCC180, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835186} normal block at 0x0000023D6CBCCF10, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835175} normal block at 0x0000023D6CB744E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835164} normal block at 0x0000023D6CB74BE0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835153} normal block at 0x0000023D6CB74B70, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835122} normal block at 0x0000023D6E7D7200, 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) : {3835109} normal block at 0x0000023D6CB70100, 8 bytes long.
Data: < øl= > 00 00 F8 6C 3D 02 00 00
{3833959} normal block at 0x0000023D6CB6F7F0, 8 bytes long.
Data: < dƒn= > 20 64 83 6E 3D 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000023D6CB6E9C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000023D6CB66600, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x0000023D6CB75C30, 16 bytes long.
Data: <Øc·l= > D8 63 B7 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000023D6CB75550, 16 bytes long.
Data: <°c·l= > B0 63 B7 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000023D6CB70C00, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x0000023D6CB75E60, 16 bytes long.
Data: < c·l= > 88 63 B7 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000023D6CB75BE0, 16 bytes long.
Data: <`c·l= > 60 63 B7 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000023D6CB75D20, 16 bytes long.
Data: <8c·l= > 38 63 B7 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000023D6CB75A00, 16 bytes long.
Data: < c·l= > 10 63 B7 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023D6CB74A90, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x0000023D6CB75460, 16 bytes long.
Data: < ¶l= > 88 8D B6 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000023D6CB70540, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x0000023D6CB753C0, 16 bytes long.
Data: <` ¶l= > 60 8D B6 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023D6CB75230, 16 bytes long.
Data: <8 ¶l= > 38 8D B6 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023D6CB75690, 16 bytes long.
Data: < ¶l= > 10 8D B6 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023D6CB75FF0, 16 bytes long.
Data: <茶l= > E8 8C B6 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023D6CB75B90, 16 bytes long.
Data: <ÀŒ¶l= > C0 8C B6 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000023D6CB75820, 16 bytes long.
Data: < Φl= > 98 8C B6 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000023D6CB70660, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x0000023D6CB758C0, 16 bytes long.
Data: <pΦl= > 70 8C B6 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000023D6CB68C70, 320 bytes long.
Data: <ÀX·l= ` ·l= > C0 58 B7 6C 3D 02 00 00 60 06 B7 6C 3D 02 00 00
{275} normal block at 0x0000023D6CB754B0, 16 bytes long.
Data: <ðb·l= > F0 62 B7 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023D6CB75500, 16 bytes long.
Data: <Èb·l= > C8 62 B7 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023D6CB708A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x0000023D6CB75FA0, 16 bytes long.
Data: < b·l= > A0 62 B7 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000023D6CB71140, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x0000023D6CB75A50, 16 bytes long.
Data: <èa·l= > E8 61 B7 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000023D6CB750F0, 16 bytes long.
Data: <Àa·l= > C0 61 B7 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000023D6CB75DC0, 16 bytes long.
Data: < a·l= > 98 61 B7 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023D6CB75640, 16 bytes long.
Data: <pa·l= > 70 61 B7 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000023D6CB75190, 16 bytes long.
Data: <Ha·l= > 48 61 B7 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000023D6CB75E10, 16 bytes long.
Data: < a·l= > 20 61 B7 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000023D6CB759B0, 16 bytes long.
Data: < G·l= > 80 47 B7 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023D6CB74780, 40 bytes long.
Data: <°Y·l= r}n= > B0 59 B7 6C 3D 02 00 00 00 72 7D 6E 3D 02 00 00
{261} normal block at 0x0000023D6CB75EB0, 16 bytes long.
Data: < a·l= > 00 61 B7 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000023D6CB75AF0, 16 bytes long.
Data: <Ø`·l= > D8 60 B7 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000023D6CB70840, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x0000023D6CB75910, 16 bytes long.
Data: <°`·l= > B0 60 B7 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000023D6CB760B0, 992 bytes long.
Data: < Y·l= @ ·l= > 10 59 B7 6C 3D 02 00 00 40 08 B7 6C 3D 02 00 00
{93} normal block at 0x0000023D6CB70B40, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x0000023D6CB70420, 16 bytes long.
Data: <àäµl= > E0 E4 B5 6C 3D 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000023D6CB5E4E0, 40 bytes long.
Data: < ·l= @ ·l= > 20 04 B7 6C 3D 02 00 00 40 0B B7 6C 3D 02 00 00
{70} normal block at 0x0000023D6CB6FC50, 16 bytes long.
Data: < êÆb÷ > 80 EA C6 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000023D6CB6FB60, 16 bytes long.
Data: <@éÆb÷ > 40 E9 C6 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000023D6CB6FE30, 16 bytes long.
Data: <øWÃb÷ > F8 57 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000023D6CB6FC00, 16 bytes long.
Data: <ØWÃb÷ > D8 57 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000023D6CB702E0, 16 bytes long.
Data: <P Ãb÷ > 50 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000023D6CB6FD90, 16 bytes long.
Data: <0 Ãb÷ > 30 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000023D6CB6F7A0, 16 bytes long.
Data: <à Ãb÷ > E0 02 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000023D6CB6FE80, 16 bytes long.
Data: < Ãb÷ > 10 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000023D6CB703D0, 16 bytes long.
Data: <p Ãb÷ > 70 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000023D6CB6FF20, 16 bytes long.
Data: < ÀÁb÷ > 18 C0 C1 62 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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