Task 38694177
| Name | test_256-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND5326_0 |
| Workunit | 31634940 |
| Created | 30 Oct 2026, 19:11:21 UTC |
| Sent | 30 Oct 2026, 19:11:24 UTC |
| Report deadline | 4 Nov 2026, 19:11:24 UTC |
| Received | 1 Nov 2026, 12:44:38 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 628933 |
| Run time | 36 min 9 sec |
| CPU time | 34 min 29 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,386.28 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 712.86 MB |
| Peak swap size | 6.86 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:08:57 (8448): wrapper (7.9.26016): starting
13:08:57 (8448): 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
13:08:58 (8448): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:08:58 (8448): 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\8\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\8\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
13:44:24 (8448): C:/Windows/system32/cmd.exe exited; CPU time 2069.343750
13:44:24 (8448): 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: 39153035 bytes.
Dumping objects ->
{3835766} normal block at 0x00000185FEEC0CA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835755} normal block at 0x00000185FEEC1560, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835744} normal block at 0x00000185FEEC1020, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835733} normal block at 0x00000185FEEC0920, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835722} normal block at 0x00000185FEEC1410, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835691} normal block at 0x00000185FF037190, 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) : {3835678} normal block at 0x00000185FD3BE6A0, 8 bytes long.
Data: < 7ý… > 00 00 37 FD 85 01 00 00
{3833963} normal block at 0x00000185FD3BE970, 8 bytes long.
Data: <Pf ÿ… > 50 66 09 FF 85 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000185FD3C0440, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000185FD3AFA60, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x00000185FD3C7470, 16 bytes long.
Data: <h~<ý… > 68 7E 3C FD 85 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000185FD3C7510, 16 bytes long.
Data: <@~<ý… > 40 7E 3C FD 85 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000185FD3C1320, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x00000185FD3C7420, 16 bytes long.
Data: < ~<ý… > 18 7E 3C FD 85 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000185FD3C6E30, 16 bytes long.
Data: <ð}<ý… > F0 7D 3C FD 85 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000185FD3C73D0, 16 bytes long.
Data: <È}<ý… > C8 7D 3C FD 85 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000185FD3C7330, 16 bytes long.
Data: < }<ý… > A0 7D 3C FD 85 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000185FD3C5090, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x00000185FD3C7880, 16 bytes long.
Data: <Ø ;ý… > D8 05 3B FD 85 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000185FD3C1B00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x00000185FD3C72E0, 16 bytes long.
Data: <° ;ý… > B0 05 3B FD 85 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000185FD3C71F0, 16 bytes long.
Data: < ;ý… > 88 05 3B FD 85 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000185FD3C6ED0, 16 bytes long.
Data: <` ;ý… > 60 05 3B FD 85 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000185FD3C6A20, 16 bytes long.
Data: <8 ;ý… > 38 05 3B FD 85 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000185FD3C6FC0, 16 bytes long.
Data: < ;ý… > 10 05 3B FD 85 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000185FD3C6F70, 16 bytes long.
Data: <è ;ý… > E8 04 3B FD 85 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000185FD3C16E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x00000185FD3C7830, 16 bytes long.
Data: <À ;ý… > C0 04 3B FD 85 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000185FD3B04C0, 320 bytes long.
Data: <0x<ý… à <ý… > 30 78 3C FD 85 01 00 00 E0 16 3C FD 85 01 00 00
{277} normal block at 0x00000185FD3C71A0, 16 bytes long.
Data: < }<ý… > 80 7D 3C FD 85 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000185FD3C6C00, 16 bytes long.
Data: <X}<ý… > 58 7D 3C FD 85 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000185FD3C19E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x00000185FD3C7100, 16 bytes long.
Data: <0}<ý… > 30 7D 3C FD 85 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000185FD3C1440, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x00000185FD3C6DE0, 16 bytes long.
Data: <x|<ý… > 78 7C 3C FD 85 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000185FD3C70B0, 16 bytes long.
Data: <P|<ý… > 50 7C 3C FD 85 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000185FD3C7290, 16 bytes long.
Data: <(|<ý… > 28 7C 3C FD 85 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000185FD3C7150, 16 bytes long.
Data: < |<ý… > 00 7C 3C FD 85 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000185FD3C76F0, 16 bytes long.
Data: <Ø{<ý… > D8 7B 3C FD 85 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000185FD3C6D90, 16 bytes long.
Data: <°{<ý… > B0 7B 3C FD 85 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000185FD3C6D40, 16 bytes long.
Data: < T<ý… > 80 54 3C FD 85 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000185FD3C5480, 40 bytes long.
Data: <@m<ý… q ÿ… > 40 6D 3C FD 85 01 00 00 90 71 03 FF 85 01 00 00
{263} normal block at 0x00000185FD3C78D0, 16 bytes long.
Data: < {<ý… > 90 7B 3C FD 85 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000185FD3C7060, 16 bytes long.
Data: <h{<ý… > 68 7B 3C FD 85 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000185FD3C1380, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x00000185FD3C76A0, 16 bytes long.
Data: <@{<ý… > 40 7B 3C FD 85 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000185FD3C7B40, 992 bytes long.
Data: < v<ý… <ý… > A0 76 3C FD 85 01 00 00 80 13 3C FD 85 01 00 00
{95} normal block at 0x00000185FD3C1AA0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x00000185FD3BE510, 16 bytes long.
Data: < S<ý… > A0 53 3C FD 85 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x00000185FD3C53A0, 40 bytes long.
Data: < å;ý…   <ý… > 10 E5 3B FD 85 01 00 00 A0 1A 3C FD 85 01 00 00
{72} normal block at 0x00000185FD3BEBF0, 16 bytes long.
Data: < êÏ9ö > 80 EA CF 39 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000185FD3BE740, 16 bytes long.
Data: <@éÏ9ö > 40 E9 CF 39 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000185FD3BE470, 16 bytes long.
Data: <øWÌ9ö > F8 57 CC 39 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000185FD3BED30, 16 bytes long.
Data: <ØWÌ9ö > D8 57 CC 39 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000185FD3BE150, 16 bytes long.
Data: <P Ì9ö > 50 04 CC 39 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000185FD3BE6F0, 16 bytes long.
Data: <0 Ì9ö > 30 04 CC 39 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000185FD3BEC40, 16 bytes long.
Data: <à Ì9ö > E0 02 CC 39 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000185FD3BEDD0, 16 bytes long.
Data: < Ì9ö > 10 04 CC 39 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000185FD3BE420, 16 bytes long.
Data: <p Ì9ö > 70 04 CC 39 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000185FD3BE2E0, 16 bytes long.
Data: < ÀÊ9ö > 18 C0 CA 39 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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