Task 38681420
| Name | test_149-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND3600_0 |
| Workunit | 31623085 |
| Created | 27 Oct 2026, 3:54:24 UTC |
| Sent | 27 Oct 2026, 3:54:31 UTC |
| Report deadline | 1 Nov 2026, 3:54:31 UTC |
| Received | 27 Oct 2026, 5:50:43 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 610949 |
| Run time | 28 min 58 sec |
| CPU time | 27 min 14 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 20,317.22 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 717.12 MB |
| Peak swap size | 9.93 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:21:59 (54580): wrapper (7.9.26016): starting
14:21:59 (54580): 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
14:22:00 (54580): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:22:00 (54580): 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
14:50:14 (54580): C:/Windows/system32/cmd.exe exited; CPU time 1634.765625
14:50:14 (54580): 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: 38921635 bytes.
Dumping objects ->
{3835380} normal block at 0x000002D2FF8318B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835369} normal block at 0x000002D2FF832020, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835358} normal block at 0x000002D2FF831CA0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835347} normal block at 0x000002D2FF8317D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835336} normal block at 0x000002D2FF8324F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835305} normal block at 0x000002D2FF75AA50, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835292} normal block at 0x000002D2FBD6DEB0, 8 bytes long.
Data: < , Ò > 00 00 2C FC D2 02 00 00
{3834077} normal block at 0x000002D2FBD6D4B0, 8 bytes long.
Data: < , Ò > E0 2C 80 FF D2 02 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002D2FBD5E7B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000002D2FBD57720, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x000002D2FBD6E0E0, 16 bytes long.
Data: <8ÑÖ Ò > 38 D1 D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002D2FBD6DCD0, 16 bytes long.
Data: < ÑÖ Ò > 10 D1 D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002D2FBD65A20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x000002D2FBD6DC30, 16 bytes long.
Data: < ÐÖ Ò > E8 D0 D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002D2FBD6D910, 16 bytes long.
Data: <ÀÐÖ Ò > C0 D0 D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002D2FBD69270, 16 bytes long.
Data: < ÐÖ Ò > 98 D0 D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002D2FBD6A1C0, 16 bytes long.
Data: <pÐÖ Ò > 70 D0 D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002D2FBD67E80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x000002D2FBD6A170, 16 bytes long.
Data: < wÖ Ò > 88 77 D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002D2FBD66200, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x000002D2FBD6A0D0, 16 bytes long.
Data: <`wÖ Ò > 60 77 D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002D2FBD6A030, 16 bytes long.
Data: <8wÖ Ò > 38 77 D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002D2FBD69FE0, 16 bytes long.
Data: < wÖ Ò > 10 77 D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002D2FBD69F90, 16 bytes long.
Data: < vÖ Ò > E8 76 D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002D2FBD69680, 16 bytes long.
Data: <ÀvÖ Ò > C0 76 D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002D2FBD694F0, 16 bytes long.
Data: < vÖ Ò > 98 76 D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002D2FBD662C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x000002D2FBD69E00, 16 bytes long.
Data: <pvÖ Ò > 70 76 D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002D2FBD67670, 320 bytes long.
Data: < Ö Ò ÀbÖ Ò > 00 9E D6 FB D2 02 00 00 C0 62 D6 FB D2 02 00 00
{281} normal block at 0x000002D2FBD69630, 16 bytes long.
Data: <PÐÖ Ò > 50 D0 D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002D2FBD698B0, 16 bytes long.
Data: <(ÐÖ Ò > 28 D0 D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002D2FBD655A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x000002D2FBD69C20, 16 bytes long.
Data: < ÐÖ Ò > 00 D0 D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002D2FBD660E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x000002D2FBD69EA0, 16 bytes long.
Data: <HÏÖ Ò > 48 CF D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002D2FBD69770, 16 bytes long.
Data: < ÏÖ Ò > 20 CF D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002D2FBD695E0, 16 bytes long.
Data: < ÎÖ Ò > F8 CE D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002D2FBD69590, 16 bytes long.
Data: <ÐÎÖ Ò > D0 CE D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002D2FBD69720, 16 bytes long.
Data: <¨ÎÖ Ò > A8 CE D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002D2FBD69D60, 16 bytes long.
Data: < ÎÖ Ò > 80 CE D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002D2FBD696D0, 16 bytes long.
Data: < }Ö Ò > A0 7D D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002D2FBD67DA0, 40 bytes long.
Data: <Ð Ö Ò Pªu Ò > D0 96 D6 FB D2 02 00 00 50 AA 75 FF D2 02 00 00
{267} normal block at 0x000002D2FBD699A0, 16 bytes long.
Data: <`ÎÖ Ò > 60 CE D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002D2FBD694A0, 16 bytes long.
Data: <8ÎÖ Ò > 38 CE D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002D2FBD65CC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x000002D2FBD69540, 16 bytes long.
Data: < ÎÖ Ò > 10 CE D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002D2FBD6CE10, 992 bytes long.
Data: <@ Ö Ò À\Ö Ò > 40 95 D6 FB D2 02 00 00 C0 5C D6 FB D2 02 00 00
{99} normal block at 0x000002D2FBD664A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x000002D2FBD69900, 16 bytes long.
Data: < ~Ö Ò > 10 7E D6 FB D2 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000002D2FBD67E10, 40 bytes long.
Data: < Ö Ò dÖ Ò > 00 99 D6 FB D2 02 00 00 A0 64 D6 FB D2 02 00 00
{74} normal block at 0x000002D2FBD69810, 16 bytes long.
Data: < m > 80 EA EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002D2FBD69860, 16 bytes long.
Data: <@ m > 40 E9 EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002D2FBD69A90, 16 bytes long.
Data: < W m > F8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002D2FBD6A080, 16 bytes long.
Data: <ØW m > D8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002D2FBD697C0, 16 bytes long.
Data: <P m > 50 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002D2FBD69DB0, 16 bytes long.
Data: <0 m > 30 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002D2FBD5BF60, 16 bytes long.
Data: < m > E0 02 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002D2FBD5BEC0, 16 bytes long.
Data: < m > 10 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002D2FBD5BD80, 16 bytes long.
Data: <p m > 70 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002D2FBD5BBF0, 16 bytes long.
Data: < À m > 18 C0 EA 6D F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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