Task 38689331
| Name | test_698-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND2961_0 |
| Workunit | 31630597 |
| Created | 28 Oct 2026, 20:16:26 UTC |
| Sent | 28 Oct 2026, 20:16:31 UTC |
| Report deadline | 2 Nov 2026, 20:16:31 UTC |
| Received | 28 Oct 2026, 20:59:49 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648117 |
| Run time | 20 min 4 sec |
| CPU time | 18 min 17 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 32,121.39 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 703.13 MB |
| Peak swap size | 6.96 GB |
| Peak disk usage | 4.09 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:39:27 (9448): wrapper (7.9.26016): starting
21:39:27 (9448): 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
21:39:28 (9448): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:39:28 (9448): 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 'E:\BOINC\data\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 'E:\BOINC\data\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
21:58:16 (9448): C:/Windows/system32/cmd.exe exited; CPU time 1097.515625
21:58:16 (9448): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 27441929 bytes.
Dumping objects ->
{3835311} normal block at 0x000002659D77F700, 48 bytes long.
Data: <PATH=E:\BOINC\da> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61
{3835300} normal block at 0x000002659D819730, 32 bytes long.
Data: <HOME=E:\BOINC\da> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61
{3835289} normal block at 0x000002659D819970, 32 bytes long.
Data: <TMP=E:\BOINC\dat> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 74
{3835278} normal block at 0x000002659D819610, 32 bytes long.
Data: <TEMP=E:\BOINC\da> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61
{3835267} normal block at 0x000002659D8197F0, 32 bytes long.
Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C
{3835236} normal block at 0x000002659D77ED60, 48 bytes long.
Data: <PATH=E:\BOINC\da> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61
{3835225} normal block at 0x000002659D7E1230, 102 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) : {3835222} normal block at 0x000002659BA81270, 8 bytes long.
Data: < ø›e > 00 00 F8 9B 65 02 00 00
{3834590} normal block at 0x000002659D7E1860, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833977} normal block at 0x000002659BA80FA0, 8 bytes long.
Data: <`\‚e > 60 5C 82 9D 65 02 00 00
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x000002659BA782B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x000002659BA79A80, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{304} normal block at 0x000002659BA88970, 16 bytes long.
Data: <X¨›e > 58 8D A8 9B 65 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000002659BA882E0, 16 bytes long.
Data: <0¨›e > 30 8D A8 9B 65 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000002659BA833A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{301} normal block at 0x000002659BA88650, 16 bytes long.
Data: < ¨›e > 08 8D A8 9B 65 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002659BA88240, 16 bytes long.
Data: <àŒ¨›e > E0 8C A8 9B 65 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002659BA88740, 16 bytes long.
Data: <¸Œ¨›e > B8 8C A8 9B 65 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002659BA87C50, 16 bytes long.
Data: < Œ¨›e > 90 8C A8 9B 65 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002659BA860D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{296} normal block at 0x000002659BA88600, 16 bytes long.
Data: <X#§›e > 58 23 A7 9B 65 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002659BA832E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{294} normal block at 0x000002659BA88880, 16 bytes long.
Data: <0#§›e > 30 23 A7 9B 65 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002659BA886F0, 16 bytes long.
Data: < #§›e > 08 23 A7 9B 65 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002659BA87D90, 16 bytes long.
Data: <à"§›e > E0 22 A7 9B 65 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002659BA87BB0, 16 bytes long.
Data: <¸"§›e > B8 22 A7 9B 65 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002659BA87C00, 16 bytes long.
Data: < "§›e > 90 22 A7 9B 65 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002659BA87CA0, 16 bytes long.
Data: <h"§›e > 68 22 A7 9B 65 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002659BA82B00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{286} normal block at 0x000002659BA88420, 16 bytes long.
Data: <@"§›e > 40 22 A7 9B 65 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002659BA72240, 320 bytes long.
Data: < „¨›e +¨›e > 20 84 A8 9B 65 02 00 00 00 2B A8 9B 65 02 00 00
{284} normal block at 0x000002659BA886A0, 16 bytes long.
Data: <pŒ¨›e > 70 8C A8 9B 65 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002659BA88560, 16 bytes long.
Data: <HŒ¨›e > 48 8C A8 9B 65 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002659BA82860, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{281} normal block at 0x000002659BA88060, 16 bytes long.
Data: < Œ¨›e > 20 8C A8 9B 65 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002659BA829E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{279} normal block at 0x000002659BA87E30, 16 bytes long.
Data: <h‹¨›e > 68 8B A8 9B 65 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002659BA87F20, 16 bytes long.
Data: <@‹¨›e > 40 8B A8 9B 65 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002659BA881F0, 16 bytes long.
Data: < ‹¨›e > 18 8B A8 9B 65 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002659BA87E80, 16 bytes long.
Data: <ðŠ¨›e > F0 8A A8 9B 65 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002659BA887E0, 16 bytes long.
Data: <ÈŠ¨›e > C8 8A A8 9B 65 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002659BA885B0, 16 bytes long.
Data: < Š¨›e > A0 8A A8 9B 65 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002659BA87B60, 16 bytes long.
Data: < f¨›e > 80 66 A8 9B 65 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002659BA86680, 40 bytes long.
Data: <`{¨›e `íwe > 60 7B A8 9B 65 02 00 00 60 ED 77 9D 65 02 00 00
{270} normal block at 0x000002659BA88830, 16 bytes long.
Data: < Š¨›e > 80 8A A8 9B 65 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002659BA88010, 16 bytes long.
Data: <XŠ¨›e > 58 8A A8 9B 65 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002659BA82FE0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{267} normal block at 0x000002659BA881A0, 16 bytes long.
Data: <0Š¨›e > 30 8A A8 9B 65 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002659BA88A30, 992 bytes long.
Data: <  ¨›e à/¨›e > A0 81 A8 9B 65 02 00 00 E0 2F A8 9B 65 02 00 00
{102} normal block at 0x000002659BA82DA0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{101} normal block at 0x000002659BA80960, 16 bytes long.
Data: <``¨›e > 60 60 A8 9B 65 02 00 00 00 00 00 00 00 00 00 00
{100} normal block at 0x000002659BA86060, 40 bytes long.
Data: <` ¨›e  -¨›e > 60 09 A8 9B 65 02 00 00 A0 2D A8 9B 65 02 00 00
{79} normal block at 0x000002659BA808C0, 16 bytes long.
Data: < ê>}ö > 80 EA 3E 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000002659BA80690, 16 bytes long.
Data: <@é>}ö > 40 E9 3E 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000002659BA81130, 16 bytes long.
Data: <øW;}ö > F8 57 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000002659BA80A50, 16 bytes long.
Data: <ØW;}ö > D8 57 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000002659BA80780, 16 bytes long.
Data: <P ;}ö > 50 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002659BA80B90, 16 bytes long.
Data: <0 ;}ö > 30 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002659BA80870, 16 bytes long.
Data: <à ;}ö > E0 02 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002659BA81400, 16 bytes long.
Data: < ;}ö > 10 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002659BA80B40, 16 bytes long.
Data: <p ;}ö > 70 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002659BA80D20, 16 bytes long.
Data: < À9}ö > 18 C0 39 7D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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