Task 38682875
| Name | test_228-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND2923_0 |
| Workunit | 31624466 |
| Created | 27 Oct 2026, 9:29:31 UTC |
| Sent | 27 Oct 2026, 9:29:35 UTC |
| Report deadline | 1 Nov 2026, 9:29:35 UTC |
| Received | 27 Oct 2026, 10:04:24 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630608 |
| Run time | 32 min 45 sec |
| CPU time | 31 min 9 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 | 733.37 MB |
| Peak swap size | 13.15 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
03:32:02 (39856): wrapper (7.9.26016): starting
03:32:02 (39856): 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
03:32:04 (39856): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:32:04 (39856): 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
04:03:31 (39856): C:/Windows/system32/cmd.exe exited; CPU time 1869.468750
04:03:31 (39856): 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: 36792865 bytes.
Dumping objects ->
{3835291} normal block at 0x000001F2CDE86700, 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 0x000001F2CDEC2860, 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 0x000001F2CDEC2380, 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 0x000001F2CDEC1C00, 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 0x000001F2CDEC29E0, 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 0x000001F2CDE87260, 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 0x000001F2CB28D840, 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 0x000001F2CB297E50, 8 bytes long.
Data: < PËò > 00 00 50 CB F2 01 00 00
{3834572} normal block at 0x000001F2CB2A2250, 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 0x000001F2CB297950, 8 bytes long.
Data: < FèÍò > A0 46 E8 CD F2 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001F2CB2A2390, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F2CB28A180, 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 0x000001F2CB2A3380, 16 bytes long.
Data: <xG*Ëò > 78 47 2A CB F2 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F2CB2A3B50, 16 bytes long.
Data: <PG*Ëò > 50 47 2A CB F2 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F2CB29F140, 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 0x000001F2CB2A3DD0, 16 bytes long.
Data: <(G*Ëò > 28 47 2A CB F2 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F2CB2A4190, 16 bytes long.
Data: < G*Ëò > 00 47 2A CB F2 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F2CB2A3BF0, 16 bytes long.
Data: <ØF*Ëò > D8 46 2A CB F2 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F2CB2A40F0, 16 bytes long.
Data: <°F*Ëò > B0 46 2A CB F2 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F2CB29D7F0, 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 0x000001F2CB2A4050, 16 bytes long.
Data: < ¡(Ëò > 18 A1 28 CB F2 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F2CB29F800, 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 0x000001F2CB2A4000, 16 bytes long.
Data: <ð (Ëò > F0 A0 28 CB F2 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F2CB2A3920, 16 bytes long.
Data: <È (Ëò > C8 A0 28 CB F2 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F2CB2A3FB0, 16 bytes long.
Data: <  (Ëò > A0 A0 28 CB F2 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F2CB2A39C0, 16 bytes long.
Data: <x (Ëò > 78 A0 28 CB F2 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F2CB2A3970, 16 bytes long.
Data: <P (Ëò > 50 A0 28 CB F2 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F2CB2A3A10, 16 bytes long.
Data: <( (Ëò > 28 A0 28 CB F2 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F2CB29EDE0, 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 0x000001F2CB2A32E0, 16 bytes long.
Data: <  (Ëò > 00 A0 28 CB F2 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F2CB28A000, 320 bytes long.
Data: <à2*Ëò àí)Ëò > E0 32 2A CB F2 01 00 00 E0 ED 29 CB F2 01 00 00
{268} normal block at 0x000001F2CB2A4140, 16 bytes long.
Data: < F*Ëò > 90 46 2A CB F2 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F2CB2A38D0, 16 bytes long.
Data: <hF*Ëò > 68 46 2A CB F2 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F2CB29F620, 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 0x000001F2CB2A3510, 16 bytes long.
Data: <@F*Ëò > 40 46 2A CB F2 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F2CB29F860, 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 0x000001F2CB2A3B00, 16 bytes long.
Data: < E*Ëò > 88 45 2A CB F2 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F2CB2A35B0, 16 bytes long.
Data: <`E*Ëò > 60 45 2A CB F2 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F2CB2A3880, 16 bytes long.
Data: <8E*Ëò > 38 45 2A CB F2 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F2CB2A3830, 16 bytes long.
Data: < E*Ëò > 10 45 2A CB F2 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F2CB2A3560, 16 bytes long.
Data: <èD*Ëò > E8 44 2A CB F2 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F2CB2A37E0, 16 bytes long.
Data: <ÀD*Ëò > C0 44 2A CB F2 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001F2CB2A3F60, 16 bytes long.
Data: < Ý)Ëò > A0 DD 29 CB F2 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001F2CB29DDA0, 40 bytes long.
Data: <`?*Ëò `rèÍò > 60 3F 2A CB F2 01 00 00 60 72 E8 CD F2 01 00 00
{254} normal block at 0x000001F2CB2A3790, 16 bytes long.
Data: < D*Ëò > A0 44 2A CB F2 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001F2CB2A3EC0, 16 bytes long.
Data: <xD*Ëò > 78 44 2A CB F2 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001F2CB29FAA0, 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 0x000001F2CB2A3BA0, 16 bytes long.
Data: <PD*Ëò > 50 44 2A CB F2 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001F2CB2A4450, 992 bytes long.
Data: < ;*Ëò  ú)Ëò > A0 3B 2A CB F2 01 00 00 A0 FA 29 CB F2 01 00 00
{86} normal block at 0x000001F2CB29EC00, 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 0x000001F2CB297EF0, 16 bytes long.
Data: < Û)Ëò > 00 DB 29 CB F2 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001F2CB29DB00, 40 bytes long.
Data: <ð~)Ëò ì)Ëò > F0 7E 29 CB F2 01 00 00 00 EC 29 CB F2 01 00 00
{63} normal block at 0x000001F2CB2980D0, 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 0x000001F2CB298490, 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 0x000001F2CB2986C0, 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 0x000001F2CB298120, 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 0x000001F2CB298080, 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 0x000001F2CB297900, 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 0x000001F2CB2979F0, 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 0x000001F2CB297E00, 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 0x000001F2CB298440, 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 0x000001F2CB2983F0, 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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