Task 38683350
| Name | test_596-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND2903_1 |
| Workunit | 31618716 |
| Created | 27 Oct 2026, 11:28:23 UTC |
| Sent | 27 Oct 2026, 11:28:31 UTC |
| Report deadline | 1 Nov 2026, 11:28:31 UTC |
| Received | 27 Oct 2026, 20:42:37 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 561610 |
| Run time | 41 min 5 sec |
| CPU time | 39 min 2 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,156.89 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 693.70 MB |
| Peak swap size | 5.21 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
15:27:56 (321088): wrapper (7.9.26016): starting
15:27:56 (321088): 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
15:27:57 (321088): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:27:57 (321088): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835124} normal block at 0x00000150E0240250, 8 bytes long.
Data: < n P > 00 00 6E E0 50 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833964} normal block at 0x00000150E1FF63B0, 1080 bytes long.
Data: < ` > C4 08 05 00 CD CD CD CD 60 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000150E02439C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:35:27 (333648): wrapper (7.9.26016): starting
16:35:27 (333648): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
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
16:41:57 (333648): C:/Windows/system32/cmd.exe exited; CPU time 353.687500
16:41:57 (333648): 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: 8722664 bytes.
Dumping objects ->
{1555} normal block at 0x000001CD5E3761C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1544} normal block at 0x000001CD5E376460, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1533} normal block at 0x000001CD5E3760E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1522} normal block at 0x000001CD5E376540, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1511} normal block at 0x000001CD5E376690, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1480} normal block at 0x000001CD5E35FAF0, 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) : {1467} normal block at 0x000001CD5E378360, 8 bytes long.
Data: < ^ > 00 00 95 5E CD 01 00 00
{308} normal block at 0x000001CD5E377E60, 8 bytes long.
Data: < 7^ > A0 8C 37 5E CD 01 00 00
{299} normal block at 0x000001CD5E35EE30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000001CD5E377FA0, 16 bytes long.
Data: < 7^ > A8 8B 37 5E CD 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001CD5E377910, 16 bytes long.
Data: < 7^ > 80 8B 37 5E CD 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001CD5E370390, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000001CD5E377E10, 16 bytes long.
Data: <X 7^ > 58 8B 37 5E CD 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001CD5E377CD0, 16 bytes long.
Data: <0 7^ > 30 8B 37 5E CD 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001CD5E377F00, 16 bytes long.
Data: < 7^ > 08 8B 37 5E CD 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001CD5E3778C0, 16 bytes long.
Data: < 7^ > E0 8A 37 5E CD 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001CD5E3764D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000001CD5E377D20, 16 bytes long.
Data: < 5^ > 88 FA 35 5E CD 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CD5E36F8B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000001CD5E377D70, 16 bytes long.
Data: <` 5^ > 60 FA 35 5E CD 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001CD5E378270, 16 bytes long.
Data: <8 5^ > 38 FA 35 5E CD 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001CD5E378040, 16 bytes long.
Data: < 5^ > 10 FA 35 5E CD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001CD5E377B40, 16 bytes long.
Data: < 5^ > E8 F9 35 5E CD 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001CD5E378540, 16 bytes long.
Data: < 5^ > C0 F9 35 5E CD 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CD5E378720, 16 bytes long.
Data: < 5^ > 98 F9 35 5E CD 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CD5E36FA90, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000001CD5E378770, 16 bytes long.
Data: <p 5^ > 70 F9 35 5E CD 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CD5E35F970, 320 bytes long.
Data: <p 7^ 6^ > 70 87 37 5E CD 01 00 00 90 FA 36 5E CD 01 00 00
{278} normal block at 0x000001CD5E378400, 16 bytes long.
Data: < 7^ > C0 8A 37 5E CD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001CD5E377AF0, 16 bytes long.
Data: < 7^ > 98 8A 37 5E CD 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001CD5E36F790, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000001CD5E377AA0, 16 bytes long.
Data: <p 7^ > 70 8A 37 5E CD 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CD5E370210, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000001CD5E378450, 16 bytes long.
Data: < 7^ > B8 89 37 5E CD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001CD5E378090, 16 bytes long.
Data: < 7^ > 90 89 37 5E CD 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001CD5E378310, 16 bytes long.
Data: <h 7^ > 68 89 37 5E CD 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001CD5E377A50, 16 bytes long.
Data: <@ 7^ > 40 89 37 5E CD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001CD5E377A00, 16 bytes long.
Data: < 7^ > 18 89 37 5E CD 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001CD5E3779B0, 16 bytes long.
Data: < 7^ > F0 88 37 5E CD 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CD5E378810, 16 bytes long.
Data: < f7^ > 20 66 37 5E CD 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001CD5E376620, 40 bytes long.
Data: < 7^ 5^ > 10 88 37 5E CD 01 00 00 F0 FA 35 5E CD 01 00 00
{264} normal block at 0x000001CD5E377FF0, 16 bytes long.
Data: < 7^ > D0 88 37 5E CD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001CD5E3787C0, 16 bytes long.
Data: < 7^ > A8 88 37 5E CD 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001CD5E36FEB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000001CD5E3786D0, 16 bytes long.
Data: < 7^ > 80 88 37 5E CD 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001CD5E378880, 992 bytes long.
Data: < 7^ 6^ > D0 86 37 5E CD 01 00 00 B0 FE 36 5E CD 01 00 00
{96} normal block at 0x000001CD5E36FA30, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000001CD5E36D670, 16 bytes long.
Data: <Pa7^ > 50 61 37 5E CD 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001CD5E376150, 40 bytes long.
Data: <p 6^ 0 6^ > 70 D6 36 5E CD 01 00 00 30 FA 36 5E CD 01 00 00
{73} normal block at 0x000001CD5E36D620, 16 bytes long.
Data: < G > 80 EA 47 F9 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001CD5E36D5D0, 16 bytes long.
Data: <@ G > 40 E9 47 F9 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001CD5E36DD50, 16 bytes long.
Data: < WD > F8 57 44 F9 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001CD5E36E4D0, 16 bytes long.
Data: < WD > D8 57 44 F9 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001CD5E36E430, 16 bytes long.
Data: <P D > 50 04 44 F9 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001CD5E36D940, 16 bytes long.
Data: <0 D > 30 04 44 F9 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001CD5E36E3E0, 16 bytes long.
Data: < D > E0 02 44 F9 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001CD5E36D580, 16 bytes long.
Data: < D > 10 04 44 F9 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001CD5E36DFD0, 16 bytes long.
Data: <p D > 70 04 44 F9 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001CD5E36D850, 16 bytes long.
Data: < B > 18 C0 42 F9 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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