Task 38695056
| Name | test_421-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND3094_0 |
| Workunit | 31635779 |
| Created | 31 Oct 2026, 5:54:57 UTC |
| Sent | 31 Oct 2026, 5:55:02 UTC |
| Report deadline | 5 Nov 2026, 5:55:02 UTC |
| Received | 31 Oct 2026, 9:29:08 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654967 |
| Run time | 53 min 13 sec |
| CPU time | 52 min 18 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,332.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 684.61 MB |
| Peak swap size | 6.83 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
08:33:52 (11916): wrapper (7.9.26016): starting
08:33:52 (11916): 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
08:33:53 (11916): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:33:53 (11916): 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 'D:\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 'D:\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
09:26:29 (11916): C:/Windows/system32/cmd.exe exited; CPU time 3138.703125
09:26:29 (11916): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 36954473 bytes.
Dumping objects ->
{3835313} normal block at 0x000001ED1505AFF0, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835302} normal block at 0x000001ED1505B220, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835291} normal block at 0x000001ED1505AE30, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835280} normal block at 0x000001ED1345C1B0, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835269} normal block at 0x000001ED1345C220, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835238} normal block at 0x000001ED150A3F60, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835227} normal block at 0x000001ED134591F0, 200 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) : {3835224} normal block at 0x000001ED13457160, 8 bytes long.
Data: < ß í > 00 00 DF 14 ED 01 00 00
{3834581} normal block at 0x000001ED13459630, 200 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x000001ED13457930, 8 bytes long.
Data: <@) í > 40 29 13 15 ED 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001ED1345D020, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001ED1344B650, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x000001ED13463720, 16 bytes long.
Data: <xCF í > 78 43 46 13 ED 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001ED13463450, 16 bytes long.
Data: <PCF í > 50 43 46 13 ED 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001ED1345D250, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x000001ED13463400, 16 bytes long.
Data: <(CF í > 28 43 46 13 ED 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001ED13463310, 16 bytes long.
Data: < CF í > 00 43 46 13 ED 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001ED13463270, 16 bytes long.
Data: <ØBF í > D8 42 46 13 ED 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001ED134635E0, 16 bytes long.
Data: <°BF í > B0 42 46 13 ED 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001ED1345C290, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x000001ED13463360, 16 bytes long.
Data: <h¾D í > 68 BE 44 13 ED 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001ED1345DEB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x000001ED134631D0, 16 bytes long.
Data: <@¾D í > 40 BE 44 13 ED 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001ED13463B30, 16 bytes long.
Data: < ¾D í > 18 BE 44 13 ED 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001ED13463A90, 16 bytes long.
Data: <ð½D í > F0 BD 44 13 ED 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001ED13463180, 16 bytes long.
Data: <ȽD í > C8 BD 44 13 ED 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001ED13463130, 16 bytes long.
Data: < ½D í > A0 BD 44 13 ED 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001ED134632C0, 16 bytes long.
Data: <x½D í > 78 BD 44 13 ED 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001ED1345D910, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x000001ED134630E0, 16 bytes long.
Data: <P½D í > 50 BD 44 13 ED 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001ED1344BD50, 320 bytes long.
Data: <à0F í ÙE í > E0 30 46 13 ED 01 00 00 10 D9 45 13 ED 01 00 00
{269} normal block at 0x000001ED13463680, 16 bytes long.
Data: < BF í > 90 42 46 13 ED 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001ED13463EF0, 16 bytes long.
Data: <hBF í > 68 42 46 13 ED 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001ED1345DD90, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x000001ED134636D0, 16 bytes long.
Data: <@BF í > 40 42 46 13 ED 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001ED1345DDF0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x000001ED13463090, 16 bytes long.
Data: < AF í > 88 41 46 13 ED 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001ED13463540, 16 bytes long.
Data: <`AF í > 60 41 46 13 ED 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001ED13463EA0, 16 bytes long.
Data: <8AF í > 38 41 46 13 ED 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001ED13463E00, 16 bytes long.
Data: < AF í > 10 41 46 13 ED 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001ED134634A0, 16 bytes long.
Data: <è@F í > E8 40 46 13 ED 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001ED13463FE0, 16 bytes long.
Data: <À@F í > C0 40 46 13 ED 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001ED13463F90, 16 bytes long.
Data: < ¿E í > 80 BF 45 13 ED 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001ED1345BF80, 40 bytes long.
Data: < ?F í `? í > 90 3F 46 13 ED 01 00 00 60 3F 0A 15 ED 01 00 00
{255} normal block at 0x000001ED13463DB0, 16 bytes long.
Data: < @F í > A0 40 46 13 ED 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001ED13463590, 16 bytes long.
Data: <x@F í > 78 40 46 13 ED 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001ED1345D7F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x000001ED13463C20, 16 bytes long.
Data: <P@F í > 50 40 46 13 ED 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001ED13464050, 992 bytes long.
Data: < <F í ð×E í > 20 3C 46 13 ED 01 00 00 F0 D7 45 13 ED 01 00 00
{87} normal block at 0x000001ED1345D8B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x000001ED134572F0, 16 bytes long.
Data: < ¾E í > A0 BE 45 13 ED 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000001ED1345BEA0, 40 bytes long.
Data: <ðrE í °ØE í > F0 72 45 13 ED 01 00 00 B0 D8 45 13 ED 01 00 00
{64} normal block at 0x000001ED13457480, 16 bytes long.
Data: < ê ÷ > 80 EA 01 1A F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001ED13457570, 16 bytes long.
Data: <@é ÷ > 40 E9 01 1A F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001ED13457110, 16 bytes long.
Data: <øWþ ÷ > F8 57 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001ED13457520, 16 bytes long.
Data: <ØWþ ÷ > D8 57 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001ED13457890, 16 bytes long.
Data: <P þ ÷ > 50 04 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001ED134577F0, 16 bytes long.
Data: <0 þ ÷ > 30 04 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001ED13457250, 16 bytes long.
Data: <à þ ÷ > E0 02 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001ED13457E30, 16 bytes long.
Data: < þ ÷ > 10 04 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001ED13457F70, 16 bytes long.
Data: <p þ ÷ > 70 04 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001ED13457ED0, 16 bytes long.
Data: < Àü ÷ > 18 C0 FC 19 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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