Task 38659523
| Name | test_1515-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND3564_0 |
| Workunit | 31603068 |
| Created | 24 Oct 2026, 13:28:49 UTC |
| Sent | 24 Oct 2026, 15:41:38 UTC |
| Report deadline | 29 Oct 2026, 15:41:38 UTC |
| Received | 25 Oct 2026, 12:26:49 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 635136 |
| Run time | 32 min 43 sec |
| CPU time | 31 min 10 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,219.62 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 695.31 MB |
| Peak swap size | 5.24 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:28:48 (5492): wrapper (7.9.26016): starting
17:28:48 (5492): 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
17:28:49 (5492): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:28:49 (5492): 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\1\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\1\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
18:01:04 (5492): C:/Windows/system32/cmd.exe exited; CPU time 1870.046875
18:01:04 (5492): 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: 36916987 bytes.
Dumping objects ->
{3835188} normal block at 0x0000027B2D7712C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835177} normal block at 0x0000027B2D770E60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835166} normal block at 0x0000027B2D770CA0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835155} normal block at 0x0000027B2D770DF0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835144} normal block at 0x0000027B2D770D80, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835113} normal block at 0x0000027B2D81AE90, 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) : {3835100} normal block at 0x0000027B2BC76410, 8 bytes long.
Data: < _-{ > 00 00 5F 2D 7B 02 00 00
{3833951} normal block at 0x0000027B2BC76550, 8 bytes long.
Data: <À÷Ì+{ > C0 F7 CC 2B 7B 02 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000027B2BC81140, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000027B2BC6AF00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x0000027B2BC82D60, 16 bytes long.
Data: <x7È+{ > 78 37 C8 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000027B2BC828B0, 16 bytes long.
Data: <P7È+{ > 50 37 C8 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000027B2BC7C9A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x0000027B2BC82810, 16 bytes long.
Data: <(7È+{ > 28 37 C8 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000027B2BC82AE0, 16 bytes long.
Data: < 7È+{ > 00 37 C8 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000027B2BC826D0, 16 bytes long.
Data: <Ø6È+{ > D8 36 C8 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000027B2BC827C0, 16 bytes long.
Data: <°6È+{ > B0 36 C8 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000027B2BC7B700, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x0000027B2BC82680, 16 bytes long.
Data: < ÅÇ+{ > 88 C5 C7 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000027B2BC7CF40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x0000027B2BC82C70, 16 bytes long.
Data: <`ÅÇ+{ > 60 C5 C7 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000027B2BC82630, 16 bytes long.
Data: <8ÅÇ+{ > 38 C5 C7 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000027B2BC82180, 16 bytes long.
Data: < ÅÇ+{ > 10 C5 C7 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000027B2BC82DB0, 16 bytes long.
Data: <èÄÇ+{ > E8 C4 C7 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000027B2BC82770, 16 bytes long.
Data: <ÀÄÇ+{ > C0 C4 C7 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000027B2BC82130, 16 bytes long.
Data: < ÄÇ+{ > 98 C4 C7 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000027B2BC7D360, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x0000027B2BC82F40, 16 bytes long.
Data: <pÄÇ+{ > 70 C4 C7 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000027B2BC7C470, 320 bytes long.
Data: <@/È+{ `ÓÇ+{ > 40 2F C8 2B 7B 02 00 00 60 D3 C7 2B 7B 02 00 00
{271} normal block at 0x0000027B2BC82590, 16 bytes long.
Data: < 6È+{ > 90 36 C8 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000027B2BC82950, 16 bytes long.
Data: <h6È+{ > 68 36 C8 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000027B2BC7CB20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x0000027B2BC82900, 16 bytes long.
Data: <@6È+{ > 40 36 C8 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000027B2BC7D420, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x0000027B2BC820E0, 16 bytes long.
Data: < 5È+{ > 88 35 C8 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000027B2BC82E50, 16 bytes long.
Data: <`5È+{ > 60 35 C8 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000027B2BC82860, 16 bytes long.
Data: <85È+{ > 38 35 C8 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000027B2BC82450, 16 bytes long.
Data: < 5È+{ > 10 35 C8 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000027B2BC82D10, 16 bytes long.
Data: <è4È+{ > E8 34 C8 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000027B2BC824A0, 16 bytes long.
Data: <À4È+{ > C0 34 C8 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000027B2BC82400, 16 bytes long.
Data: <°µÇ+{ > B0 B5 C7 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000027B2BC7B5B0, 40 bytes long.
Data: < $È+{ ® -{ > 00 24 C8 2B 7B 02 00 00 90 AE 81 2D 7B 02 00 00
{257} normal block at 0x0000027B2BC821D0, 16 bytes long.
Data: < 4È+{ > A0 34 C8 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000027B2BC82C20, 16 bytes long.
Data: <x4È+{ > 78 34 C8 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000027B2BC7C820, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x0000027B2BC82FE0, 16 bytes long.
Data: <P4È+{ > 50 34 C8 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000027B2BC83450, 992 bytes long.
Data: <à/È+{ ÈÇ+{ > E0 2F C8 2B 7B 02 00 00 20 C8 C7 2B 7B 02 00 00
{89} normal block at 0x0000027B2BC7C760, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x0000027B2BC768C0, 16 bytes long.
Data: < ¶Ç+{ > 90 B6 C7 2B 7B 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x0000027B2BC7B690, 40 bytes long.
Data: <ÀhÇ+{ `ÇÇ+{ > C0 68 C7 2B 7B 02 00 00 60 C7 C7 2B 7B 02 00 00
{66} normal block at 0x0000027B2BC77130, 16 bytes long.
Data: < ê?0ö > 80 EA 3F 30 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000027B2BC76500, 16 bytes long.
Data: <@é?0ö > 40 E9 3F 30 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000027B2BC76820, 16 bytes long.
Data: <øW<0ö > F8 57 3C 30 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000027B2BC77040, 16 bytes long.
Data: <ØW<0ö > D8 57 3C 30 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000027B2BC76910, 16 bytes long.
Data: <P <0ö > 50 04 3C 30 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000027B2BC76C80, 16 bytes long.
Data: <0 <0ö > 30 04 3C 30 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000027B2BC76730, 16 bytes long.
Data: <à <0ö > E0 02 3C 30 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000027B2BC76780, 16 bytes long.
Data: < <0ö > 10 04 3C 30 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000027B2BC76DC0, 16 bytes long.
Data: <p <0ö > 70 04 3C 30 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000027B2BC76FF0, 16 bytes long.
Data: < À:0ö > 18 C0 3A 30 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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