Task 38659330
| Name | test_582-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND2462_0 |
| Workunit | 31602880 |
| Created | 24 Oct 2026, 13:23:07 UTC |
| Sent | 24 Oct 2026, 13:33:31 UTC |
| Report deadline | 29 Oct 2026, 13:33:31 UTC |
| Received | 24 Oct 2026, 15:40:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 642350 |
| Run time | 30 min 14 sec |
| CPU time | 28 min 6 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,408.10 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 727.32 MB |
| Peak swap size | 9.88 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:11:04 (399252): wrapper (7.9.26016): starting
10:11:04 (399252): 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
10:11:05 (399252): Library/usr/bin/tar.exe exited; CPU time 0.031250
10:11:05 (399252): 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.
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
10:39:59 (399252): C:/Windows/system32/cmd.exe exited; CPU time 1686.828125
10:39:59 (399252): 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: 38168533 bytes.
Dumping objects ->
{3835248} normal block at 0x000001BB4D6F31E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835237} normal block at 0x000001BB4D6F3170, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835226} normal block at 0x000001BB4D6F3090, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835215} normal block at 0x000001BB4D6F2F40, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835204} normal block at 0x000001BB4D6F3410, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835173} normal block at 0x000001BB4F50A600, 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) : {3835160} normal block at 0x000001BB4D6B8960, 8 bytes long.
Data: < ³M» > 00 00 B3 4D BB 01 00 00
{3833959} normal block at 0x000001BB4D6B87D0, 8 bytes long.
Data: <P$oM» > 50 24 6F 4D BB 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001BB4D69AEA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001BB4D69CDE0, 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 0x000001BB4D6B80A0, 16 bytes long.
Data: <H’kM» > 48 92 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001BB4D6B8050, 16 bytes long.
Data: < ’kM» > 20 92 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001BB4D6CC4B0, 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 0x000001BB4D6B8230, 16 bytes long.
Data: <ø‘kM» > F8 91 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001BB4D6B81E0, 16 bytes long.
Data: <БkM» > D0 91 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001BB4D6B8640, 16 bytes long.
Data: <¨‘kM» > A8 91 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001BB4D6B8AA0, 16 bytes long.
Data: < ‘kM» > 80 91 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001BB4D6B7680, 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 0x000001BB4D6B85F0, 16 bytes long.
Data: <([kM» > 28 5B 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BB4D6CC690, 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 0x000001BB4D6B83C0, 16 bytes long.
Data: < [kM» > 00 5B 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BB4D6B8A00, 16 bytes long.
Data: <ØZkM» > D8 5A 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001BB4D6B8D20, 16 bytes long.
Data: <°ZkM» > B0 5A 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001BB4D6B8C30, 16 bytes long.
Data: < ZkM» > 88 5A 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001BB4D6B8910, 16 bytes long.
Data: <`ZkM» > 60 5A 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BB4D6B88C0, 16 bytes long.
Data: <8ZkM» > 38 5A 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001BB4D6CC7B0, 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 0x000001BB4D6B8370, 16 bytes long.
Data: < ZkM» > 10 5A 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BB4D6B5A10, 320 bytes long.
Data: <pƒkM» °ÇlM» > 70 83 6B 4D BB 01 00 00 B0 C7 6C 4D BB 01 00 00
{275} normal block at 0x000001BB4D6B85A0, 16 bytes long.
Data: <`‘kM» > 60 91 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BB4D6B8690, 16 bytes long.
Data: <8‘kM» > 38 91 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001BB4D6CC870, 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 0x000001BB4D6B8DC0, 16 bytes long.
Data: < ‘kM» > 10 91 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001BB4D6CC810, 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 0x000001BB4D6B8CD0, 16 bytes long.
Data: <X kM» > 58 90 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BB4D6B8BE0, 16 bytes long.
Data: <0 kM» > 30 90 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001BB4D6B8190, 16 bytes long.
Data: < kM» > 08 90 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BB4D6B8550, 16 bytes long.
Data: <à kM» > E0 8F 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BB4D6B8820, 16 bytes long.
Data: <¸ kM» > B8 8F 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001BB4D6B8460, 16 bytes long.
Data: < kM» > 90 8F 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BB4D6B80F0, 16 bytes long.
Data: <°qkM» > B0 71 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001BB4D6B71B0, 40 bytes long.
Data: <ð kM» ¦PO» > F0 80 6B 4D BB 01 00 00 00 A6 50 4F BB 01 00 00
{261} normal block at 0x000001BB4D6B8B90, 16 bytes long.
Data: <p kM» > 70 8F 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001BB4D6B8500, 16 bytes long.
Data: <H kM» > 48 8F 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001BB4D6A31A0, 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 0x000001BB4D6B8140, 16 bytes long.
Data: < kM» > 20 8F 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001BB4D6B8F20, 992 bytes long.
Data: <@ kM»  1jM» > 40 81 6B 4D BB 01 00 00 A0 31 6A 4D BB 01 00 00
{93} normal block at 0x000001BB4D6A3980, 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 0x000001BB4D6A9CB0, 16 bytes long.
Data: <@xkM» > 40 78 6B 4D BB 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001BB4D6B7840, 40 bytes long.
Data: <°œjM» 9jM» > B0 9C 6A 4D BB 01 00 00 80 39 6A 4D BB 01 00 00
{70} normal block at 0x000001BB4D6A9B70, 16 bytes long.
Data: < êÿšö > 80 EA FF 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001BB4D6A9440, 16 bytes long.
Data: <@éÿšö > 40 E9 FF 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001BB4D6A90D0, 16 bytes long.
Data: <øWüšö > F8 57 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001BB4D6A9080, 16 bytes long.
Data: <ØWüšö > D8 57 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001BB4D6A99E0, 16 bytes long.
Data: <P üšö > 50 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BB4D6A93F0, 16 bytes long.
Data: <0 üšö > 30 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001BB4D6A93A0, 16 bytes long.
Data: <à üšö > E0 02 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001BB4D6A9710, 16 bytes long.
Data: < üšö > 10 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001BB4D6A9030, 16 bytes long.
Data: <p üšö > 70 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001BB4D6A9940, 16 bytes long.
Data: < Àúšö > 18 C0 FA 9A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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