Task 38650059
| Name | test_527-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND3507_2 |
| Workunit | 31594187 |
| Created | 23 Oct 2026, 22:39:53 UTC |
| Sent | 23 Oct 2026, 22:54:23 UTC |
| Report deadline | 28 Oct 2026, 22:54:23 UTC |
| Received | 24 Oct 2026, 6:38:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 563109 |
| Run time | 1 hours 10 min 22 sec |
| CPU time | 58 min 36 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,156.89 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 672.86 MB |
| Peak swap size | 2.23 GB |
| Peak disk usage | 3.72 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:29:55 (9296): wrapper (7.9.26016): starting
23:29:55 (9296): 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
23:29:58 (9296): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:29:58 (9296): 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\1\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\1\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
00:37:27 (9296): C:/Windows/system32/cmd.exe exited; CPU time 3516.781250
00:37:27 (9296): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 44706913 bytes.
Dumping objects ->
{3835251} normal block at 0x0000024294158590, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835240} normal block at 0x0000024294158440, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835229} normal block at 0x0000024294158910, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835218} normal block at 0x0000024294158210, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835207} normal block at 0x00000242941588A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835176} normal block at 0x00000242940FD790, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835165} normal block at 0x00000242925C2AB0, 235 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) : {3835162} normal block at 0x00000242925B6550, 8 bytes long.
Data: < ”B > 00 00 01 94 42 02 00 00
{3834555} normal block at 0x00000242925C2260, 235 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 0x00000242925B6500, 8 bytes long.
Data: <Б ”B > D0 91 15 94 42 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000242925BFB70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000242925AA560, 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 0x00000242925C1100, 16 bytes long.
Data: <¸1\’B > B8 31 5C 92 42 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000242925C10B0, 16 bytes long.
Data: < 1\’B > 90 31 5C 92 42 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000242925B7CB0, 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 0x00000242925C0AC0, 16 bytes long.
Data: <h1\’B > 68 31 5C 92 42 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000242925C1060, 16 bytes long.
Data: <@1\’B > 40 31 5C 92 42 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000242925C16A0, 16 bytes long.
Data: < 1\’B > 18 31 5C 92 42 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000242925C0FC0, 16 bytes long.
Data: <ð0\’B > F0 30 5C 92 42 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000242925BBD90, 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 0x00000242925C1510, 16 bytes long.
Data: < Î[’B > 08 CE 5B 92 42 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000242925B7230, 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 0x00000242925C0F20, 16 bytes long.
Data: <àÍ[’B > E0 CD 5B 92 42 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000242925C1740, 16 bytes long.
Data: <¸Í[’B > B8 CD 5B 92 42 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000242925C0ED0, 16 bytes long.
Data: < Í[’B > 90 CD 5B 92 42 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000242925C0B10, 16 bytes long.
Data: <hÍ[’B > 68 CD 5B 92 42 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000242925C1380, 16 bytes long.
Data: <@Í[’B > 40 CD 5B 92 42 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000242925C0E80, 16 bytes long.
Data: < Í[’B > 18 CD 5B 92 42 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000242925B73B0, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{270} normal block at 0x00000242925C1A10, 16 bytes long.
Data: <ðÌ[’B > F0 CC 5B 92 42 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000242925BCCF0, 320 bytes long.
Data: < \’B °s[’B > 10 1A 5C 92 42 02 00 00 B0 73 5B 92 42 02 00 00
{268} normal block at 0x00000242925C0E30, 16 bytes long.
Data: <Ð0\’B > D0 30 5C 92 42 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000242925C0DE0, 16 bytes long.
Data: <¨0\’B > A8 30 5C 92 42 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000242925B70B0, 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 0x00000242925C1970, 16 bytes long.
Data: < 0\’B > 80 30 5C 92 42 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000242925B72F0, 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 0x00000242925C0D90, 16 bytes long.
Data: <È/\’B > C8 2F 5C 92 42 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000242925C0CF0, 16 bytes long.
Data: < /\’B > A0 2F 5C 92 42 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000242925C0CA0, 16 bytes long.
Data: <x/\’B > 78 2F 5C 92 42 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000242925C0C50, 16 bytes long.
Data: <P/\’B > 50 2F 5C 92 42 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000242925C1830, 16 bytes long.
Data: <(/\’B > 28 2F 5C 92 42 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000242925C0C00, 16 bytes long.
Data: < /\’B > 00 2F 5C 92 42 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000242925C1240, 16 bytes long.
Data: <@¼[’B > 40 BC 5B 92 42 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000242925BBC40, 40 bytes long.
Data: <@ \’B × ”B > 40 12 5C 92 42 02 00 00 90 D7 0F 94 42 02 00 00
{254} normal block at 0x00000242925C11F0, 16 bytes long.
Data: <à.\’B > E0 2E 5C 92 42 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000242925C0D40, 16 bytes long.
Data: <¸.\’B > B8 2E 5C 92 42 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000242925B71D0, 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 0x00000242925C1920, 16 bytes long.
Data: < .\’B > 90 2E 5C 92 42 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x00000242925C2E90, 992 bytes long.
Data: < \’B Ðq[’B > 20 19 5C 92 42 02 00 00 D0 71 5B 92 42 02 00 00
{86} normal block at 0x00000242925B7530, 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 0x00000242925B6B40, 16 bytes long.
Data: < Á[’B > 80 C1 5B 92 42 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x00000242925BC180, 40 bytes long.
Data: <@k[’B 0u[’B > 40 6B 5B 92 42 02 00 00 30 75 5B 92 42 02 00 00
{63} normal block at 0x00000242925B6AF0, 16 bytes long.
Data: < ê0—ö > 80 EA 30 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000242925B5F10, 16 bytes long.
Data: <@é0—ö > 40 E9 30 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000242925B6050, 16 bytes long.
Data: <øW-—ö > F8 57 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000242925B6640, 16 bytes long.
Data: <ØW-—ö > D8 57 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000242925B6140, 16 bytes long.
Data: <P -—ö > 50 04 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000242925B6BE0, 16 bytes long.
Data: <0 -—ö > 30 04 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000242925B6D20, 16 bytes long.
Data: <à -—ö > E0 02 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000242925B6910, 16 bytes long.
Data: < -—ö > 10 04 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000242925B6B90, 16 bytes long.
Data: <p -—ö > 70 04 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x00000242925B66E0, 16 bytes long.
Data: < À+—ö > 18 C0 2B 97 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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