Task 38680969
| Name | test_901-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND6361_1 |
| Workunit | 31622585 |
| Created | 27 Oct 2026, 2:10:04 UTC |
| Sent | 27 Oct 2026, 2:10:09 UTC |
| Report deadline | 1 Nov 2026, 2:10:09 UTC |
| Received | 27 Oct 2026, 3:11:37 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 610900 |
| Run time | 59 min 57 sec |
| CPU time | 51 min 34 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 7,990.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 736.78 MB |
| Peak swap size | 9.90 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
22:11:52 (11568): wrapper (7.9.26016): starting
22:11:52 (11568): 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
22:11:53 (11568): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:11:53 (11568): 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
23:10:46 (11568): C:/Windows/system32/cmd.exe exited; CPU time 3094.093750
23:10:46 (11568): 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: 84479667 bytes.
Dumping objects ->
{3835500} normal block at 0x0000014993D74BC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835489} normal block at 0x0000014993D74A70, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835478} normal block at 0x0000014993D74920, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835467} normal block at 0x0000014993D74A00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835456} normal block at 0x0000014993D74B50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835425} normal block at 0x0000014995AF81A0, 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) : {3835412} normal block at 0x0000014993D6EA10, 8 bytes long.
Data: < ГI > 00 00 D0 93 49 01 00 00
{3833959} normal block at 0x0000014993D6F690, 8 bytes long.
Data: <°ß •I > B0 DF A0 95 49 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000014993D70760, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000014993D66480, 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 0x0000014993D76250, 16 bytes long.
Data: <(gדI > 28 67 D7 93 49 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000014993D76110, 16 bytes long.
Data: < gדI > 00 67 D7 93 49 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000014993D6FED0, 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 0x0000014993D75F30, 16 bytes long.
Data: <ØfדI > D8 66 D7 93 49 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000014993D760C0, 16 bytes long.
Data: <°fדI > B0 66 D7 93 49 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000014993D76160, 16 bytes long.
Data: < fדI > 88 66 D7 93 49 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000014993D75800, 16 bytes long.
Data: <`fדI > 60 66 D7 93 49 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000014993D74990, 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 0x0000014993D75DF0, 16 bytes long.
Data: < Ö“I > 18 8F D6 93 49 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000014993D702F0, 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 0x0000014993D75EE0, 16 bytes long.
Data: <ðŽÖ“I > F0 8E D6 93 49 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000014993D75E40, 16 bytes long.
Data: <ÈŽÖ“I > C8 8E D6 93 49 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000014993D76200, 16 bytes long.
Data: < ŽÖ“I > A0 8E D6 93 49 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000014993D75DA0, 16 bytes long.
Data: <xŽÖ“I > 78 8E D6 93 49 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000014993D75D00, 16 bytes long.
Data: <PŽÖ“I > 50 8E D6 93 49 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000014993D76070, 16 bytes long.
Data: <(ŽÖ“I > 28 8E D6 93 49 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000014993D6FB70, 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 0x0000014993D76020, 16 bytes long.
Data: < ŽÖ“I > 00 8E D6 93 49 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000014993D68E00, 320 bytes long.
Data: < `דI pûÖ“I > 20 60 D7 93 49 01 00 00 70 FB D6 93 49 01 00 00
{275} normal block at 0x0000014993D75F80, 16 bytes long.
Data: <@fדI > 40 66 D7 93 49 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000014993D75E90, 16 bytes long.
Data: < fדI > 18 66 D7 93 49 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000014993D6F930, 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 0x0000014993D75C60, 16 bytes long.
Data: <ðeדI > F0 65 D7 93 49 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000014993D700B0, 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 0x0000014993D754E0, 16 bytes long.
Data: <8eדI > 38 65 D7 93 49 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000014993D75490, 16 bytes long.
Data: < eדI > 10 65 D7 93 49 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000014993D75D50, 16 bytes long.
Data: <èdדI > E8 64 D7 93 49 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000014993D75580, 16 bytes long.
Data: <ÀdדI > C0 64 D7 93 49 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000014993D75A30, 16 bytes long.
Data: < dדI > 98 64 D7 93 49 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000014993D761B0, 16 bytes long.
Data: <pdדI > 70 64 D7 93 49 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000014993D75FD0, 16 bytes long.
Data: < FדI > 80 46 D7 93 49 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000014993D74680, 40 bytes long.
Data: <Ð_דI   ¯•I > D0 5F D7 93 49 01 00 00 A0 81 AF 95 49 01 00 00
{261} normal block at 0x0000014993D75440, 16 bytes long.
Data: <PdדI > 50 64 D7 93 49 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000014993D757B0, 16 bytes long.
Data: <(dדI > 28 64 D7 93 49 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000014993D6FFF0, 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 0x0000014993D75BC0, 16 bytes long.
Data: < dדI > 00 64 D7 93 49 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000014993D76400, 992 bytes long.
Data: <À[דI ðÿÖ“I > C0 5B D7 93 49 01 00 00 F0 FF D6 93 49 01 00 00
{93} normal block at 0x0000014993D70530, 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 0x0000014993D6EDD0, 16 bytes long.
Data: < ßÕ“I > 20 DF D5 93 49 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000014993D5DF20, 40 bytes long.
Data: <ÐíÖ“I 0 דI > D0 ED D6 93 49 01 00 00 30 05 D7 93 49 01 00 00
{70} normal block at 0x0000014993D6EB00, 16 bytes long.
Data: < ê:±ö > 80 EA 3A B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000014993D6F0A0, 16 bytes long.
Data: <@é:±ö > 40 E9 3A B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000014993D6E880, 16 bytes long.
Data: <øW7±ö > F8 57 37 B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000014993D6F500, 16 bytes long.
Data: <ØW7±ö > D8 57 37 B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000014993D6F050, 16 bytes long.
Data: <P 7±ö > 50 04 37 B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000014993D6EAB0, 16 bytes long.
Data: <0 7±ö > 30 04 37 B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000014993D6EF60, 16 bytes long.
Data: <à 7±ö > E0 02 37 B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000014993D6F550, 16 bytes long.
Data: < 7±ö > 10 04 37 B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000014993D6F410, 16 bytes long.
Data: <p 7±ö > 70 04 37 B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000014993D6E9C0, 16 bytes long.
Data: < À5±ö > 18 C0 35 B1 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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