Task 38671977
| Name | test_867-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND9846_1 |
| Workunit | 31613658 |
| Created | 25 Oct 2026, 22:05:34 UTC |
| Sent | 25 Oct 2026, 22:05:38 UTC |
| Report deadline | 30 Oct 2026, 22:05:38 UTC |
| Received | 25 Oct 2026, 22:44:24 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630608 |
| Run time | 33 min 47 sec |
| CPU time | 32 min 4 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 83,070.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 735.51 MB |
| Peak swap size | 13.15 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
16:10:15 (47032): wrapper (7.9.26016): starting
16:10:15 (47032): 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
16:10:17 (47032): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:10:17 (47032): 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:\BOINC\slots\29\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:\BOINC\slots\29\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
16:42:43 (47032): C:/Windows/system32/cmd.exe exited; CPU time 1924.734375
16:42:43 (47032): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 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: 37885015 bytes.
Dumping objects ->
{3835291} normal block at 0x000001A69ED86BD0, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835280} normal block at 0x000001A69EDC13C0, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835269} normal block at 0x000001A69EDC0E20, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835258} normal block at 0x000001A69EDC11E0, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835247} normal block at 0x000001A69EDC0BE0, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{3835216} normal block at 0x000001A69ED87030, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835205} normal block at 0x000001A69C20D840, 185 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) : {3835202} normal block at 0x000001A69C217B80, 8 bytes long.
Data: < Cœ¦ > 00 00 43 9C A6 01 00 00
{3834572} normal block at 0x000001A69C222250, 185 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833945} normal block at 0x000001A69C2178B0, 8 bytes long.
Data: < FØž¦ > A0 46 D8 9E A6 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001A69C222390, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001A69C20A180, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x000001A69C224000, 16 bytes long.
Data: <xG"œ¦ > 78 47 22 9C A6 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001A69C223F10, 16 bytes long.
Data: <PG"œ¦ > 50 47 22 9C A6 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001A69C21F980, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x000001A69C223EC0, 16 bytes long.
Data: <(G"œ¦ > 28 47 22 9C A6 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001A69C223E70, 16 bytes long.
Data: < G"œ¦ > 00 47 22 9C A6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001A69C223DD0, 16 bytes long.
Data: <ØF"œ¦ > D8 46 22 9C A6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001A69C223D80, 16 bytes long.
Data: <°F"œ¦ > B0 46 22 9C A6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001A69C21DD30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x000001A69C2238D0, 16 bytes long.
Data: < ¡ œ¦ > 18 A1 20 9C A6 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001A69C21F500, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x000001A69C223880, 16 bytes long.
Data: <ð  œ¦ > F0 A0 20 9C A6 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001A69C223830, 16 bytes long.
Data: <È  œ¦ > C8 A0 20 9C A6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001A69C2236F0, 16 bytes long.
Data: <   œ¦ > A0 A0 20 9C A6 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001A69C223D30, 16 bytes long.
Data: <x  œ¦ > 78 A0 20 9C A6 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001A69C223CE0, 16 bytes long.
Data: <P  œ¦ > 50 A0 20 9C A6 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001A69C223470, 16 bytes long.
Data: <(  œ¦ > 28 A0 20 9C A6 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001A69C21F440, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x000001A69C223BA0, 16 bytes long.
Data: <   œ¦ > 00 A0 20 9C A6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001A69C20A000, 320 bytes long.
Data: < ;"œ¦ @ô!œ¦ > A0 3B 22 9C A6 01 00 00 40 F4 21 9C A6 01 00 00
{268} normal block at 0x000001A69C223A60, 16 bytes long.
Data: < F"œ¦ > 90 46 22 9C A6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001A69C223F60, 16 bytes long.
Data: <hF"œ¦ > 68 46 22 9C A6 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001A69C21F080, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x000001A69C223600, 16 bytes long.
Data: <@F"œ¦ > 40 46 22 9C A6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001A69C21F920, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x000001A69C2236A0, 16 bytes long.
Data: < E"œ¦ > 88 45 22 9C A6 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001A69C2235B0, 16 bytes long.
Data: <`E"œ¦ > 60 45 22 9C A6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001A69C223C90, 16 bytes long.
Data: <8E"œ¦ > 38 45 22 9C A6 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001A69C2240F0, 16 bytes long.
Data: < E"œ¦ > 10 45 22 9C A6 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001A69C223B50, 16 bytes long.
Data: <èD"œ¦ > E8 44 22 9C A6 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001A69C223B00, 16 bytes long.
Data: <ÀD"œ¦ > C0 44 22 9C A6 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001A69C223920, 16 bytes long.
Data: <ð×!œ¦ > F0 D7 21 9C A6 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001A69C21D7F0, 40 bytes long.
Data: < 9"œ¦ 0pØž¦ > 20 39 22 9C A6 01 00 00 30 70 D8 9E A6 01 00 00
{254} normal block at 0x000001A69C223790, 16 bytes long.
Data: < D"œ¦ > A0 44 22 9C A6 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001A69C224190, 16 bytes long.
Data: <xD"œ¦ > 78 44 22 9C A6 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001A69C21F380, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x000001A69C223740, 16 bytes long.
Data: <PD"œ¦ > 50 44 22 9C A6 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001A69C224450, 992 bytes long.
Data: <@7"œ¦ ó!œ¦ > 40 37 22 9C A6 01 00 00 80 F3 21 9C A6 01 00 00
{86} normal block at 0x000001A69C21EE40, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x000001A69C217900, 16 bytes long.
Data: <PÜ!œ¦ > 50 DC 21 9C A6 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001A69C21DC50, 40 bytes long.
Data: < y!œ¦ @î!œ¦ > 00 79 21 9C A6 01 00 00 40 EE 21 9C A6 01 00 00
{63} normal block at 0x000001A69C217EA0, 16 bytes long.
Data: < ê\1ö > 80 EA 5C 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001A69C217F40, 16 bytes long.
Data: <@é\1ö > 40 E9 5C 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001A69C217D60, 16 bytes long.
Data: <øWY1ö > F8 57 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001A69C2186C0, 16 bytes long.
Data: <ØWY1ö > D8 57 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001A69C218670, 16 bytes long.
Data: <P Y1ö > 50 04 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001A69C218490, 16 bytes long.
Data: <0 Y1ö > 30 04 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001A69C2187B0, 16 bytes long.
Data: <à Y1ö > E0 02 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001A69C218440, 16 bytes long.
Data: < Y1ö > 10 04 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001A69C2183F0, 16 bytes long.
Data: <p Y1ö > 70 04 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001A69C218350, 16 bytes long.
Data: < ÀW1ö > 18 C0 57 31 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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