Task 38682607
| Name | test_780-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND0536_0 |
| Workunit | 31624211 |
| Created | 27 Oct 2026, 8:23:06 UTC |
| Sent | 27 Oct 2026, 8:23:09 UTC |
| Report deadline | 1 Nov 2026, 8:23:09 UTC |
| Received | 27 Oct 2026, 9:32:06 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630608 |
| Run time | 33 min 19 sec |
| CPU time | 31 min 35 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 | 733.92 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>
02:58:35 (19936): wrapper (7.9.26016): starting
02:58:35 (19936): 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
02:58:37 (19936): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:58:37 (19936): 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\33\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\33\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
03:30:38 (19936): C:/Windows/system32/cmd.exe exited; CPU time 1895.718750
03:30:38 (19936): 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: 37557471 bytes.
Dumping objects ->
{3835291} normal block at 0x000001F546FA6D90, 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 0x000001F546FE0580, 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 0x000001F546FE0400, 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 0x000001F546FE0E80, 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 0x000001F546FE1120, 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 0x000001F546FA7180, 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 0x000001F54456D840, 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 0x000001F544578670, 8 bytes long.
Data: < }Dõ > 00 00 7D 44 F5 01 00 00
{3834572} normal block at 0x000001F544582250, 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 0x000001F544578530, 8 bytes long.
Data: < FúFõ > A0 46 FA 46 F5 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001F544582390, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F54456A180, 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 0x000001F544583AB0, 16 bytes long.
Data: <xGXDõ > 78 47 58 44 F5 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F544583A60, 16 bytes long.
Data: <PGXDõ > 50 47 58 44 F5 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F54457F260, 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 0x000001F544583510, 16 bytes long.
Data: <(GXDõ > 28 47 58 44 F5 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F544583650, 16 bytes long.
Data: < GXDõ > 00 47 58 44 F5 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F544583C40, 16 bytes long.
Data: <ØFXDõ > D8 46 58 44 F5 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F544583970, 16 bytes long.
Data: <°FXDõ > B0 46 58 44 F5 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F54457D860, 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 0x000001F544583600, 16 bytes long.
Data: < ¡VDõ > 18 A1 56 44 F5 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F54457F920, 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 0x000001F544583BA0, 16 bytes long.
Data: <ð VDõ > F0 A0 56 44 F5 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F5445834C0, 16 bytes long.
Data: <È VDõ > C8 A0 56 44 F5 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F544583830, 16 bytes long.
Data: <  VDõ > A0 A0 56 44 F5 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F544583C90, 16 bytes long.
Data: <x VDõ > 78 A0 56 44 F5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F544583470, 16 bytes long.
Data: <P VDõ > 50 A0 56 44 F5 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F544583EC0, 16 bytes long.
Data: <( VDõ > 28 A0 56 44 F5 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F54457EDE0, 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 0x000001F544583420, 16 bytes long.
Data: <  VDõ > 00 A0 56 44 F5 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F54456A000, 320 bytes long.
Data: < 4XDõ àíWDõ > 20 34 58 44 F5 01 00 00 E0 ED 57 44 F5 01 00 00
{268} normal block at 0x000001F544583380, 16 bytes long.
Data: < FXDõ > 90 46 58 44 F5 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F5445839C0, 16 bytes long.
Data: <hFXDõ > 68 46 58 44 F5 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F54457EF60, 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 0x000001F5445836A0, 16 bytes long.
Data: <@FXDõ > 40 46 58 44 F5 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F54457F500, 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 0x000001F544583D80, 16 bytes long.
Data: < EXDõ > 88 45 58 44 F5 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F544583330, 16 bytes long.
Data: <`EXDõ > 60 45 58 44 F5 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F5445840A0, 16 bytes long.
Data: <8EXDõ > 38 45 58 44 F5 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F5445841E0, 16 bytes long.
Data: < EXDõ > 10 45 58 44 F5 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F544584050, 16 bytes long.
Data: <èDXDõ > E8 44 58 44 F5 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F544584140, 16 bytes long.
Data: <ÀDXDõ > C0 44 58 44 F5 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001F5445840F0, 16 bytes long.
Data: <ÀÜWDõ > C0 DC 57 44 F5 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001F54457DCC0, 40 bytes long.
Data: <ð@XDõ qúFõ > F0 40 58 44 F5 01 00 00 80 71 FA 46 F5 01 00 00
{254} normal block at 0x000001F544583D30, 16 bytes long.
Data: < DXDõ > A0 44 58 44 F5 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001F544583B00, 16 bytes long.
Data: <xDXDõ > 78 44 58 44 F5 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001F54457EF00, 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 0x000001F5445837E0, 16 bytes long.
Data: <PDXDõ > 50 44 58 44 F5 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001F544584450, 992 bytes long.
Data: <à7XDõ ïWDõ > E0 37 58 44 F5 01 00 00 00 EF 57 44 F5 01 00 00
{86} normal block at 0x000001F54457FB00, 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 0x000001F544577B30, 16 bytes long.
Data: <pÛWDõ > 70 DB 57 44 F5 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001F54457DB70, 40 bytes long.
Data: <0{WDõ ûWDõ > 30 7B 57 44 F5 01 00 00 00 FB 57 44 F5 01 00 00
{63} normal block at 0x000001F544577D60, 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 0x000001F544578440, 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 0x000001F544577EF0, 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 0x000001F544578490, 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 0x000001F5445778B0, 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 0x000001F5445785D0, 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 0x000001F544577CC0, 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 0x000001F5445783A0, 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 0x000001F544577C70, 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 0x000001F5445782B0, 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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