Task 38663864
| Name | test_269-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND9645_0 |
| Workunit | 31607056 |
| Created | 24 Oct 2026, 22:49:45 UTC |
| Sent | 24 Oct 2026, 22:49:51 UTC |
| Report deadline | 29 Oct 2026, 22:49:51 UTC |
| Received | 25 Oct 2026, 0:13:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 638552 |
| Run time | 1 hours 21 min 59 sec |
| CPU time | 1 hours 19 min 4 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 20,047.12 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 769.41 MB |
| Peak swap size | 12.98 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
15:52:45 (13656): wrapper (7.9.26016): starting
15:52:45 (13656): 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
15:52:46 (13656): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:52:46 (13656): 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\17\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\17\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
17:13:01 (13656): C:/Windows/system32/cmd.exe exited; CPU time 4743.984375
17:13:01 (13656): 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: 83416605 bytes.
Dumping objects ->
{3835529} normal block at 0x000001A8BF6453D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835518} normal block at 0x000001A8BF645360, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835507} normal block at 0x000001A8BF6458A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835496} normal block at 0x000001A8BF645280, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835485} normal block at 0x000001A8BF645600, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835454} normal block at 0x000001A8C1455C40, 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) : {3835441} normal block at 0x000001A8BF63E730, 8 bytes long.
Data: < É¿¨ > 00 00 C9 BF A8 01 00 00
{3833971} normal block at 0x000001A8BF63E320, 8 bytes long.
Data: <p£f¿¨ > 70 A3 66 BF A8 01 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001A8BF641B10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001A8BF636A10, 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 0x000001A8BF6466B0, 16 bytes long.
Data: <xqd¿¨ > 78 71 64 BF A8 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001A8BF6460C0, 16 bytes long.
Data: <Pqd¿¨ > 50 71 64 BF A8 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001A8BF63F680, 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 0x000001A8BF646610, 16 bytes long.
Data: <(qd¿¨ > 28 71 64 BF A8 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001A8BF646570, 16 bytes long.
Data: < qd¿¨ > 00 71 64 BF A8 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001A8BF6462A0, 16 bytes long.
Data: <Øpd¿¨ > D8 70 64 BF A8 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001A8BF6469D0, 16 bytes long.
Data: <°pd¿¨ > B0 70 64 BF A8 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001A8BF6454B0, 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 0x000001A8BF646070, 16 bytes long.
Data: <h c¿¨ > 68 04 63 BF A8 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001A8BF6403A0, 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 0x000001A8BF645FD0, 16 bytes long.
Data: <@ c¿¨ > 40 04 63 BF A8 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001A8BF646B10, 16 bytes long.
Data: < c¿¨ > 18 04 63 BF A8 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001A8BF6468E0, 16 bytes long.
Data: <ð c¿¨ > F0 03 63 BF A8 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001A8BF646390, 16 bytes long.
Data: <È c¿¨ > C8 03 63 BF A8 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001A8BF646480, 16 bytes long.
Data: <  c¿¨ > A0 03 63 BF A8 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001A8BF646980, 16 bytes long.
Data: <x c¿¨ > 78 03 63 BF A8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001A8BF63F920, 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 0x000001A8BF6467F0, 16 bytes long.
Data: <P c¿¨ > 50 03 63 BF A8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001A8BF630350, 320 bytes long.
Data: <ðgd¿¨ ùc¿¨ > F0 67 64 BF A8 01 00 00 20 F9 63 BF A8 01 00 00
{281} normal block at 0x000001A8BF646020, 16 bytes long.
Data: < pd¿¨ > 90 70 64 BF A8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001A8BF646C50, 16 bytes long.
Data: <hpd¿¨ > 68 70 64 BF A8 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001A8BF63FCE0, 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 0x000001A8BF646520, 16 bytes long.
Data: <@pd¿¨ > 40 70 64 BF A8 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001A8BF63FA40, 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 0x000001A8BF646660, 16 bytes long.
Data: < od¿¨ > 88 6F 64 BF A8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001A8BF646AC0, 16 bytes long.
Data: <`od¿¨ > 60 6F 64 BF A8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001A8BF646430, 16 bytes long.
Data: <8od¿¨ > 38 6F 64 BF A8 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001A8BF646930, 16 bytes long.
Data: < od¿¨ > 10 6F 64 BF A8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001A8BF646160, 16 bytes long.
Data: <ènd¿¨ > E8 6E 64 BF A8 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001A8BF6467A0, 16 bytes long.
Data: <Ànd¿¨ > C0 6E 64 BF A8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001A8BF646C00, 16 bytes long.
Data: < Ud¿¨ > 20 55 64 BF A8 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001A8BF645520, 40 bytes long.
Data: < ld¿¨ @\EÁ¨ > 00 6C 64 BF A8 01 00 00 40 5C 45 C1 A8 01 00 00
{267} normal block at 0x000001A8BF6464D0, 16 bytes long.
Data: < nd¿¨ > A0 6E 64 BF A8 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001A8BF646110, 16 bytes long.
Data: <xnd¿¨ > 78 6E 64 BF A8 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001A8BF63FEC0, 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 0x000001A8BF646A70, 16 bytes long.
Data: <Pnd¿¨ > 50 6E 64 BF A8 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001A8BF646E50, 992 bytes long.
Data: <pjd¿¨ Àþc¿¨ > 70 6A 64 BF A8 01 00 00 C0 FE 63 BF A8 01 00 00
{99} normal block at 0x000001A8BF6402E0, 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 0x000001A8BF63DE20, 16 bytes long.
Data: <@åb¿¨ > 40 E5 62 BF A8 01 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000001A8BF62E540, 40 bytes long.
Data: < Þc¿¨ à d¿¨ > 20 DE 63 BF A8 01 00 00 E0 02 64 BF A8 01 00 00
{76} normal block at 0x000001A8BF63E0A0, 16 bytes long.
Data: < ê ³ö > 80 EA 8D B3 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001A8BF63E0F0, 16 bytes long.
Data: <@é ³ö > 40 E9 8D B3 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001A8BF63DDD0, 16 bytes long.
Data: <øWŠ³ö > F8 57 8A B3 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001A8BF63DA60, 16 bytes long.
Data: <ØWŠ³ö > D8 57 8A B3 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001A8BF63E280, 16 bytes long.
Data: <P Š³ö > 50 04 8A B3 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001A8BF63E410, 16 bytes long.
Data: <0 Š³ö > 30 04 8A B3 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001A8BF63E690, 16 bytes long.
Data: <à Š³ö > E0 02 8A B3 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001A8BF63DA10, 16 bytes long.
Data: < Š³ö > 10 04 8A B3 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001A8BF63DFB0, 16 bytes long.
Data: <p Š³ö > 70 04 8A B3 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001A8BF63D9C0, 16 bytes long.
Data: < À ³ö > 18 C0 88 B3 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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