Task 38680571
| Name | test_0-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND6774_0 |
| Workunit | 31622287 |
| Created | 27 Oct 2026, 0:28:21 UTC |
| Sent | 27 Oct 2026, 0:28:27 UTC |
| Report deadline | 1 Nov 2026, 0:28:27 UTC |
| Received | 27 Oct 2026, 1:36:49 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 616686 |
| Run time | 49 min 57 sec |
| CPU time | 40 min 38 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,849.38 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 731.16 MB |
| Peak swap size | 9.91 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:46:15 (44264): wrapper (7.9.26016): starting
20:46:15 (44264): 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
20:46:17 (44264): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:46:17 (44264): 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
21:34:32 (44264): C:/Windows/system32/cmd.exe exited; CPU time 2438.734375
21:34:32 (44264): 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: 69358943 bytes.
Dumping objects ->
{3835431} normal block at 0x000001E1F19D4E80, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835420} normal block at 0x000001E1F19D53C0, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835409} normal block at 0x000001E1F19D4EF0, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835398} normal block at 0x000001E1EFBE15B0, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835387} normal block at 0x000001E1EFBE1310, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835356} normal block at 0x000001E1F18BC040, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835343} normal block at 0x000001E1EFBDAC60, 8 bytes long.
Data: < hñá > 00 00 68 F1 E1 01 00 00
{3833957} normal block at 0x000001E1EFBDAE40, 8 bytes long.
Data: < żïá > 00 C5 BC EF E1 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001E1EFBCF7B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E1EFBD0430, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001E1EFBE2B10, 16 bytes long.
Data: <ÈA¾ïá > C8 41 BE EF E1 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E1EFBE2F70, 16 bytes long.
Data: < A¾ïá > A0 41 BE EF E1 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E1EFBDD930, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001E1EFBE2B60, 16 bytes long.
Data: <xA¾ïá > 78 41 BE EF E1 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E1EFBE2CA0, 16 bytes long.
Data: <PA¾ïá > 50 41 BE EF E1 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E1EFBE2AC0, 16 bytes long.
Data: <(A¾ïá > 28 41 BE EF E1 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E1EFBE36A0, 16 bytes long.
Data: < A¾ïá > 00 41 BE EF E1 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E1EFBE1380, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001E1EFBE35B0, 16 bytes long.
Data: < à¼ïá > 88 E0 BC EF E1 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E1EFBDDA50, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001E1EFBE29D0, 16 bytes long.
Data: <`à¼ïá > 60 E0 BC EF E1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E1EFBE2980, 16 bytes long.
Data: <8à¼ïá > 38 E0 BC EF E1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E1EFBE3650, 16 bytes long.
Data: < à¼ïá > 10 E0 BC EF E1 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E1EFBE3560, 16 bytes long.
Data: <èß¼ïá > E8 DF BC EF E1 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E1EFBE2C00, 16 bytes long.
Data: <Àß¼ïá > C0 DF BC EF E1 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E1EFBE2930, 16 bytes long.
Data: < ß¼ïá > 98 DF BC EF E1 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E1EFBDDCF0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001E1EFBE3510, 16 bytes long.
Data: <pß¼ïá > 70 DF BC EF E1 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E1EFBCDF70, 320 bytes long.
Data: < 5¾ïá ðܽïá > 10 35 BE EF E1 01 00 00 F0 DC BD EF E1 01 00 00
{274} normal block at 0x000001E1EFBE3600, 16 bytes long.
Data: <à@¾ïá > E0 40 BE EF E1 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E1EFBE32E0, 16 bytes long.
Data: <¸@¾ïá > B8 40 BE EF E1 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E1EFBDD210, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001E1EFBE3880, 16 bytes long.
Data: < @¾ïá > 90 40 BE EF E1 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E1EFBDDC90, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001E1EFBE3380, 16 bytes long.
Data: <Ø?¾ïá > D8 3F BE EF E1 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E1EFBE3470, 16 bytes long.
Data: <°?¾ïá > B0 3F BE EF E1 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E1EFBE3830, 16 bytes long.
Data: < ?¾ïá > 88 3F BE EF E1 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E1EFBE37E0, 16 bytes long.
Data: <`?¾ïá > 60 3F BE EF E1 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E1EFBE2D90, 16 bytes long.
Data: <8?¾ïá > 38 3F BE EF E1 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E1EFBE3420, 16 bytes long.
Data: < ?¾ïá > 10 3F BE EF E1 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E1EFBE2A70, 16 bytes long.
Data: <à ¾ïá > E0 10 BE EF E1 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E1EFBE10E0, 40 bytes long.
Data: <p*¾ïá @À‹ñá > 70 2A BE EF E1 01 00 00 40 C0 8B F1 E1 01 00 00
{260} normal block at 0x000001E1EFBE3240, 16 bytes long.
Data: <ð>¾ïá > F0 3E BE EF E1 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E1EFBE3290, 16 bytes long.
Data: <È>¾ïá > C8 3E BE EF E1 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001E1EFBDD690, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001E1EFBE3330, 16 bytes long.
Data: < >¾ïá > A0 3E BE EF E1 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001E1EFBE3EA0, 992 bytes long.
Data: <03¾ïá Ö½ïá > 30 33 BE EF E1 01 00 00 90 D6 BD EF E1 01 00 00
{92} normal block at 0x000001E1EFBDDBD0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001E1EFBDBB10, 16 bytes long.
Data: <ð ¾ïá > F0 13 BE EF E1 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001E1EFBE13F0, 40 bytes long.
Data: < »½ïá ÐÛ½ïá > 10 BB BD EF E1 01 00 00 D0 DB BD EF E1 01 00 00
{69} normal block at 0x000001E1EFBDBAC0, 16 bytes long.
Data: < êYF÷ > 80 EA 59 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E1EFBDAF30, 16 bytes long.
Data: <@éYF÷ > 40 E9 59 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E1EFBDABC0, 16 bytes long.
Data: <øWVF÷ > F8 57 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E1EFBDACB0, 16 bytes long.
Data: <ØWVF÷ > D8 57 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E1EFBDB890, 16 bytes long.
Data: <P VF÷ > 50 04 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E1EFBDB160, 16 bytes long.
Data: <0 VF÷ > 30 04 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E1EFBDAD00, 16 bytes long.
Data: <à VF÷ > E0 02 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E1EFBDADF0, 16 bytes long.
Data: < VF÷ > 10 04 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E1EFBDADA0, 16 bytes long.
Data: <p VF÷ > 70 04 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001E1EFBDAF80, 16 bytes long.
Data: < ÀTF÷ > 18 C0 54 46 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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