Task 38681463
| Name | test_507-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND9731_0 |
| Workunit | 31623127 |
| Created | 27 Oct 2026, 4:05:55 UTC |
| Sent | 27 Oct 2026, 4:05:57 UTC |
| Report deadline | 1 Nov 2026, 4:05:57 UTC |
| Received | 27 Oct 2026, 5:06:52 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 638078 |
| Run time | 20 min 17 sec |
| CPU time | 16 min 9 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 51,075.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 808.64 MB |
| Peak swap size | 10.08 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
05:47:04 (37800): wrapper (7.9.26016): starting
05:47:04 (37800): 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
05:47:05 (37800): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:47:05 (37800): 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\24\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\24\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
06:06:39 (37800): C:/Windows/system32/cmd.exe exited; CPU time 969.890625
06:06:39 (37800): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 25415088 bytes.
Dumping objects ->
{3835471} normal block at 0x000001E9C0D3AC90, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835460} normal block at 0x000001E9C0D3AFA0, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835449} normal block at 0x000001E9BEED4CC0, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835438} normal block at 0x000001E9BEED4BE0, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835427} normal block at 0x000001E9BEED4B00, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835396} normal block at 0x000001E9C0D2B180, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835385} normal block at 0x000001E9C0D3CA80, 85 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) : {3835382} normal block at 0x000001E9BEECE010, 8 bytes long.
Data: < I¿é > 00 00 49 BF E9 01 00 00
{3834663} normal block at 0x000001E9C0D3DCA0, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833969} normal block at 0x000001E9BEECD750, 8 bytes long.
Data: <pÚë¾é > 70 DA EB BE E9 01 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001E9BEED1680, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001E9BEEC60D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x000001E9BEED5FC0, 16 bytes long.
Data: <èií¾é > E8 69 ED BE E9 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001E9BEED5CF0, 16 bytes long.
Data: <Àií¾é > C0 69 ED BE E9 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001E9BEECF3D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x000001E9BEED5840, 16 bytes long.
Data: < ií¾é > 98 69 ED BE E9 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001E9BEED57A0, 16 bytes long.
Data: <pií¾é > 70 69 ED BE E9 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E9BEED5F20, 16 bytes long.
Data: <Hií¾é > 48 69 ED BE E9 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001E9BEED5AC0, 16 bytes long.
Data: < ií¾é > 20 69 ED BE E9 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E9BEED4E10, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x000001E9BEED5750, 16 bytes long.
Data: <ÈŠì¾é > C8 8A EC BE E9 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E9BEECF1F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x000001E9BEED6100, 16 bytes long.
Data: < Šì¾é > A0 8A EC BE E9 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E9BEED57F0, 16 bytes long.
Data: <xŠì¾é > 78 8A EC BE E9 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E9BEED65B0, 16 bytes long.
Data: <PŠì¾é > 50 8A EC BE E9 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001E9BEED6650, 16 bytes long.
Data: <(Šì¾é > 28 8A EC BE E9 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E9BEED6600, 16 bytes long.
Data: < Šì¾é > 00 8A EC BE E9 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E9BEED6560, 16 bytes long.
Data: <؉ì¾é > D8 89 EC BE E9 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E9BEECF8B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x000001E9BEED64C0, 16 bytes long.
Data: <°‰ì¾é > B0 89 EC BE E9 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E9BEEC89B0, 320 bytes long.
Data: <Àdí¾é °øì¾é > C0 64 ED BE E9 01 00 00 B0 F8 EC BE E9 01 00 00
{280} normal block at 0x000001E9BEED6420, 16 bytes long.
Data: < ií¾é > 00 69 ED BE E9 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E9BEED5A70, 16 bytes long.
Data: <Øhí¾é > D8 68 ED BE E9 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E9BEECF4F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x000001E9BEED5E30, 16 bytes long.
Data: <°hí¾é > B0 68 ED BE E9 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E9BEECF610, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x000001E9BEED5DE0, 16 bytes long.
Data: <øgí¾é > F8 67 ED BE E9 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E9BEED5BB0, 16 bytes long.
Data: <Ðgí¾é > D0 67 ED BE E9 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E9BEED59D0, 16 bytes long.
Data: <¨gí¾é > A8 67 ED BE E9 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E9BEED6380, 16 bytes long.
Data: < gí¾é > 80 67 ED BE E9 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E9BEED5F70, 16 bytes long.
Data: <Xgí¾é > 58 67 ED BE E9 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E9BEED5D40, 16 bytes long.
Data: <0gí¾é > 30 67 ED BE E9 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E9BEED60B0, 16 bytes long.
Data: <°Ií¾é > B0 49 ED BE E9 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E9BEED49B0, 40 bytes long.
Data: <°`í¾é ±ÒÀé > B0 60 ED BE E9 01 00 00 80 B1 D2 C0 E9 01 00 00
{266} normal block at 0x000001E9BEED5ED0, 16 bytes long.
Data: < gí¾é > 10 67 ED BE E9 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E9BEED5700, 16 bytes long.
Data: <èfí¾é > E8 66 ED BE E9 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E9BEECEE30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x000001E9BEED63D0, 16 bytes long.
Data: <Àfí¾é > C0 66 ED BE E9 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E9BEED66C0, 992 bytes long.
Data: <Ðcí¾é 0îì¾é > D0 63 ED BE E9 01 00 00 30 EE EC BE E9 01 00 00
{98} normal block at 0x000001E9BEECF850, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x000001E9BEECDFC0, 16 bytes long.
Data: < ìì¾é > 80 EC EC BE E9 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000001E9BEECEC80, 40 bytes long.
Data: <Àßì¾é Pøì¾é > C0 DF EC BE E9 01 00 00 50 F8 EC BE E9 01 00 00
{75} normal block at 0x000001E9BEECDE80, 16 bytes long.
Data: < ê ‹ö > 80 EA 1B 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001E9BEECDED0, 16 bytes long.
Data: <@é ‹ö > 40 E9 1B 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001E9BEECD660, 16 bytes long.
Data: <øW ‹ö > F8 57 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001E9BEECDF20, 16 bytes long.
Data: <ØW ‹ö > D8 57 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001E9BEECE290, 16 bytes long.
Data: <P ‹ö > 50 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001E9BEECDD90, 16 bytes long.
Data: <0 ‹ö > 30 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001E9BEECDD40, 16 bytes long.
Data: <à ‹ö > E0 02 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E9BEECD6B0, 16 bytes long.
Data: < ‹ö > 10 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E9BEECE060, 16 bytes long.
Data: <p ‹ö > 70 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E9BEECD9D0, 16 bytes long.
Data: < À ‹ö > 18 C0 16 8B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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