Task 38698929
| Name | test_398-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND0398_0 |
| Workunit | 31639390 |
| Created | 3 Nov 2026, 7:27:00 UTC |
| Sent | 3 Nov 2026, 7:27:01 UTC |
| Report deadline | 8 Nov 2026, 7:27:01 UTC |
| Received | 3 Nov 2026, 10:27:02 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653213 |
| Run time | 18 min 57 sec |
| CPU time | 15 min 39 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 58,709.55 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 730.34 MB |
| Peak swap size | 7.01 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:41:40 (19908): wrapper (7.9.26016): starting
03:41:40 (19908): 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
03:41:41 (19908): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:41:41 (19908): 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\16\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\16\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) : {3835435} normal block at 0x000001ED0799F470, 8 bytes long.
Data: < > 00 00 F0 07 ED 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x000001ED09793AC0, 1080 bytes long.
Data: < > FC 1D 00 00 CD CD CD CD D4 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001ED079A1710, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
05:07:30 (21740): wrapper (7.9.26016): starting
05:07:30 (21740): 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\16\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: Exiting with failure status due to previous errors
05:26:25 (21740): C:/Windows/system32/cmd.exe exited; CPU time 939.218750
05:26:25 (21740): 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: 20701087 bytes.
Dumping objects ->
{1868} normal block at 0x000001F1E83A3BB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1857} normal block at 0x000001F1E83A3AD0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1846} normal block at 0x000001F1E83A3C20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1835} normal block at 0x000001F1E83A3B40, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1824} normal block at 0x000001F1E83A3D00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1793} normal block at 0x000001F1E839E710, 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) : {1780} normal block at 0x000001F1E83A5390, 8 bytes long.
Data: < > 00 00 87 E8 F1 01 00 00
{306} normal block at 0x000001F1E83A50C0, 8 bytes long.
Data: < Y: > 00 59 3A E8 F1 01 00 00
{297} normal block at 0x000001F1E8396540, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001F1E83A5700, 16 bytes long.
Data: < G: > F8 47 3A E8 F1 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F1E83A49E0, 16 bytes long.
Data: < G: > D0 47 3A E8 F1 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F1E83A0770, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001F1E83A5890, 16 bytes long.
Data: < G: > A8 47 3A E8 F1 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F1E83A5070, 16 bytes long.
Data: < G: > 80 47 3A E8 F1 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F1E83A55C0, 16 bytes long.
Data: <XG: > 58 47 3A E8 F1 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F1E83A53E0, 16 bytes long.
Data: <0G: > 30 47 3A E8 F1 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F1E83A3D70, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001F1E83A5570, 16 bytes long.
Data: < 9 > E8 8F 39 E8 F1 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F1E83A0710, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001F1E83A5520, 16 bytes long.
Data: < 9 > C0 8F 39 E8 F1 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F1E83A5840, 16 bytes long.
Data: < 9 > 98 8F 39 E8 F1 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F1E83A4990, 16 bytes long.
Data: <p 9 > 70 8F 39 E8 F1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F1E83A51B0, 16 bytes long.
Data: <H 9 > 48 8F 39 E8 F1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F1E83A4D00, 16 bytes long.
Data: < 9 > 20 8F 39 E8 F1 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F1E83A5610, 16 bytes long.
Data: < 9 > F8 8E 39 E8 F1 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F1E83A0170, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001F1E83A5660, 16 bytes long.
Data: < 9 > D0 8E 39 E8 F1 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F1E8398ED0, 320 bytes long.
Data: <`V: p : > 60 56 3A E8 F1 01 00 00 70 01 3A E8 F1 01 00 00
{276} normal block at 0x000001F1E83A4AD0, 16 bytes long.
Data: < G: > 10 47 3A E8 F1 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F1E83A4B70, 16 bytes long.
Data: < F: > E8 46 3A E8 F1 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F1E83A06B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001F1E83A57F0, 16 bytes long.
Data: < F: > C0 46 3A E8 F1 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F1E839F990, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001F1E83A5340, 16 bytes long.
Data: < F: > 08 46 3A E8 F1 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F1E83A4940, 16 bytes long.
Data: < E: > E0 45 3A E8 F1 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F1E83A4A30, 16 bytes long.
Data: < E: > B8 45 3A E8 F1 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F1E83A4E40, 16 bytes long.
Data: < E: > 90 45 3A E8 F1 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F1E839E860, 16 bytes long.
Data: <hE: > 68 45 3A E8 F1 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F1E839F6C0, 16 bytes long.
Data: <@E: > 40 45 3A E8 F1 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F1E839F620, 16 bytes long.
Data: < =: > E0 3D 3A E8 F1 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F1E83A3DE0, 40 bytes long.
Data: < 9 9 > 20 F6 39 E8 F1 01 00 00 10 E7 39 E8 F1 01 00 00
{262} normal block at 0x000001F1E839F4E0, 16 bytes long.
Data: < E: > 20 45 3A E8 F1 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F1E839F3A0, 16 bytes long.
Data: < D: > F8 44 3A E8 F1 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F1E83A00B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001F1E839F030, 16 bytes long.
Data: < D: > D0 44 3A E8 F1 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F1E83A44D0, 992 bytes long.
Data: <0 9 : > 30 F0 39 E8 F1 01 00 00 B0 00 3A E8 F1 01 00 00
{94} normal block at 0x000001F1E83A0410, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001F1E839EE50, 16 bytes long.
Data: <@ 8 > 40 F0 38 E8 F1 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001F1E838F040, 40 bytes long.
Data: <P 9 : > 50 EE 39 E8 F1 01 00 00 10 04 3A E8 F1 01 00 00
{71} normal block at 0x000001F1E839EF40, 16 bytes long.
Data: < W > 80 EA 97 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F1E839EE00, 16 bytes long.
Data: <@ W > 40 E9 97 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F1E839F0D0, 16 bytes long.
Data: < W W > F8 57 94 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F1E839ED60, 16 bytes long.
Data: < W W > D8 57 94 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F1E839F5D0, 16 bytes long.
Data: <P W > 50 04 94 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F1E839E950, 16 bytes long.
Data: <0 W > 30 04 94 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F1E839EF90, 16 bytes long.
Data: < W > E0 02 94 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F1E839ECC0, 16 bytes long.
Data: < W > 10 04 94 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F1E839F120, 16 bytes long.
Data: <p W > 70 04 94 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F1E839EA40, 16 bytes long.
Data: < W > 18 C0 92 57 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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