Task 38682788
| Name | test_277-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND6740_0 |
| Workunit | 31624382 |
| Created | 27 Oct 2026, 9:07:27 UTC |
| Sent | 27 Oct 2026, 9:07:30 UTC |
| Report deadline | 1 Nov 2026, 9:07:30 UTC |
| Received | 27 Oct 2026, 11:48:37 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 609617 |
| Run time | 58 min 46 sec |
| CPU time | 58 min 20 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,564.25 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 693.13 MB |
| Peak swap size | 9.76 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:40:30 (8384): wrapper (7.9.26016): starting
11:40:30 (8384): 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
11:40:33 (8384): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:40:33 (8384): 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\2\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\2\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835155} normal block at 0x0000015338D26F50, 8 bytes long.
Data: < :S > 00 00 A6 3A 53 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833944} normal block at 0x0000015338E0E9F0, 1080 bytes long.
Data: < 0 > F8 10 00 00 CD CD CD CD 30 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000015338D2FC70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:39:26 (5872): wrapper (7.9.26016): starting
13:39:26 (5872): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\tmp 㦥 áãé¥áâ¢ã¥â.
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
13:49:09 (5872): C:/Windows/system32/cmd.exe exited; CPU time 451.937500
13:49:09 (5872): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 4470854 bytes.
Dumping objects ->
{1597} normal block at 0x000002682E43C290, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1586} normal block at 0x000002682E43BFF0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1575} normal block at 0x000002682E43C1B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1564} normal block at 0x000002682E43C450, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1553} normal block at 0x000002682E43BE30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1522} normal block at 0x000002682E426240, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1511} normal block at 0x000002682E42D160, 180 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) : {1508} normal block at 0x000002682E442760, 8 bytes long.
Data: < =.h > 00 00 3D 2E 68 02 00 00
{901} normal block at 0x000002682E42D250, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{298} normal block at 0x000002682E4426C0, 8 bytes long.
Data: < D.h > B0 16 44 2E 68 02 00 00
{289} normal block at 0x000002682E428DF0, 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 0x000002682E442530, 16 bytes long.
Data: < ED.h > B8 45 44 2E 68 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002682E4427B0, 16 bytes long.
Data: < ED.h > 90 45 44 2E 68 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002682E43D540, 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 0x000002682E4422B0, 16 bytes long.
Data: <hED.h > 68 45 44 2E 68 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002682E442260, 16 bytes long.
Data: <@ED.h > 40 45 44 2E 68 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002682E442210, 16 bytes long.
Data: < ED.h > 18 45 44 2E 68 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002682E4421C0, 16 bytes long.
Data: < DD.h > F0 44 44 2E 68 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002682E43C370, 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 0x000002682E442580, 16 bytes long.
Data: < C.h > 88 CF 43 2E 68 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002682E43D3C0, 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 0x000002682E4424E0, 16 bytes long.
Data: <` C.h > 60 CF 43 2E 68 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002682E4429E0, 16 bytes long.
Data: <8 C.h > 38 CF 43 2E 68 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002682E442800, 16 bytes long.
Data: < C.h > 10 CF 43 2E 68 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002682E442440, 16 bytes long.
Data: < C.h > E8 CE 43 2E 68 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002682E442170, 16 bytes long.
Data: < C.h > C0 CE 43 2E 68 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002682E441E50, 16 bytes long.
Data: < C.h > 98 CE 43 2E 68 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002682E43D0C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x000002682E442710, 16 bytes long.
Data: <p C.h > 70 CE 43 2E 68 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002682E43CE70, 320 bytes long.
Data: < 'D.h C.h > 10 27 44 2E 68 02 00 00 C0 D0 43 2E 68 02 00 00
{268} normal block at 0x000002682E442120, 16 bytes long.
Data: < DD.h > D0 44 44 2E 68 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002682E441DB0, 16 bytes long.
Data: < DD.h > A8 44 44 2E 68 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002682E43DF00, 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 0x000002682E441EA0, 16 bytes long.
Data: < DD.h > 80 44 44 2E 68 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002682E43DDE0, 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 0x000002682E442670, 16 bytes long.
Data: < CD.h > C8 43 44 2E 68 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002682E441D60, 16 bytes long.
Data: < CD.h > A0 43 44 2E 68 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002682E441D10, 16 bytes long.
Data: <xCD.h > 78 43 44 2E 68 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002682E442490, 16 bytes long.
Data: <PCD.h > 50 43 44 2E 68 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002682E4420D0, 16 bytes long.
Data: <(CD.h > 28 43 44 2E 68 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002682E441E00, 16 bytes long.
Data: < CD.h > 00 43 44 2E 68 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002682E442080, 16 bytes long.
Data: < C.h > 00 C3 43 2E 68 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002682E43C300, 40 bytes long.
Data: < D.h @bB.h > 80 20 44 2E 68 02 00 00 40 62 42 2E 68 02 00 00
{254} normal block at 0x000002682E441FE0, 16 bytes long.
Data: < BD.h > E0 42 44 2E 68 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002682E442C60, 16 bytes long.
Data: < BD.h > B8 42 44 2E 68 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000002682E43D780, 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 0x000002682E442B70, 16 bytes long.
Data: < BD.h > 90 42 44 2E 68 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000002682E444290, 992 bytes long.
Data: <p+D.h C.h > 70 2B 44 2E 68 02 00 00 80 D7 43 2E 68 02 00 00
{86} normal block at 0x000002682E43D660, 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 0x000002682E437030, 16 bytes long.
Data: < C.h > 20 C2 43 2E 68 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000002682E43C220, 40 bytes long.
Data: <0pC.h ` C.h > 30 70 43 2E 68 02 00 00 60 D6 43 2E 68 02 00 00
{63} normal block at 0x000002682E437E40, 16 bytes long.
Data: < v > 80 EA 05 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002682E4377B0, 16 bytes long.
Data: <@ v > 40 E9 05 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002682E437DF0, 16 bytes long.
Data: < W v > F8 57 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002682E437710, 16 bytes long.
Data: < W v > D8 57 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002682E4375D0, 16 bytes long.
Data: <P v > 50 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002682E437940, 16 bytes long.
Data: <0 v > 30 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002682E4370D0, 16 bytes long.
Data: < v > E0 02 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002682E4376C0, 16 bytes long.
Data: < v > 10 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000002682E437260, 16 bytes long.
Data: <p v > 70 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000002682E437CB0, 16 bytes long.
Data: < v > 18 C0 00 76 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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