Task 38678995
| Name | test_632-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND3671_0 |
| Workunit | 31620793 |
| Created | 26 Oct 2026, 19:08:49 UTC |
| Sent | 26 Oct 2026, 19:08:50 UTC |
| Report deadline | 31 Oct 2026, 19:08:50 UTC |
| Received | 27 Oct 2026, 6:26:10 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641350 |
| Run time | 27 min 24 sec |
| CPU time | 25 min 49 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 19,410.98 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 717.46 MB |
| Peak swap size | 5.37 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:11:42 (18072): wrapper (7.9.26016): starting
20:11:42 (18072): 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
20:11:43 (18072): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:11:43 (18072): 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\0\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\0\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) : {3835151} normal block at 0x000001883935DB90, 8 bytes long.
Data: < 9 > 00 00 8B 39 88 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x0000018839364D20, 1080 bytes long.
Data: < L > 04 4C 00 00 CD CD CD CD E0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000018839361D10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
07:21:50 (11780): wrapper (7.9.26016): starting
07:21:50 (11780): 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\0\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
07:25:47 (11780): C:/Windows/system32/cmd.exe exited; CPU time 206.984375
07:25:47 (11780): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 3447234 bytes.
Dumping objects ->
{1585} normal block at 0x00000244A32150D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1574} normal block at 0x00000244A32154C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1563} normal block at 0x00000244A32153E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1552} normal block at 0x00000244A3215220, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1541} normal block at 0x00000244A3214FF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1510} normal block at 0x00000244A32095B0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1499} normal block at 0x00000244A31FBBE0, 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) : {1496} normal block at 0x00000244A3216560, 8 bytes long.
Data: < k D > 00 00 6B A3 44 02 00 00
{890} normal block at 0x00000244A31FEA20, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{306} normal block at 0x00000244A32160B0, 8 bytes long.
Data: < o! D > E0 6F 21 A3 44 02 00 00
{297} normal block at 0x00000244A31FFAB0, 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 0x00000244A3216060, 16 bytes long.
Data: < n! D > E8 6E 21 A3 44 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000244A3216010, 16 bytes long.
Data: < n! D > C0 6E 21 A3 44 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000244A3210340, 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 0x00000244A3216290, 16 bytes long.
Data: < n! D > 98 6E 21 A3 44 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000244A3215FC0, 16 bytes long.
Data: <pn! D > 70 6E 21 A3 44 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000244A3216100, 16 bytes long.
Data: <Hn! D > 48 6E 21 A3 44 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000244A3215F70, 16 bytes long.
Data: < n! D > 20 6E 21 A3 44 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000244A32156F0, 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 0x00000244A3216240, 16 bytes long.
Data: <H D > 48 08 20 A3 44 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000244A32100A0, 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 0x00000244A32161F0, 16 bytes long.
Data: < D > 20 08 20 A3 44 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000244A3215CA0, 16 bytes long.
Data: < D > F8 07 20 A3 44 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000244A3216420, 16 bytes long.
Data: < D > D0 07 20 A3 44 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000244A32169C0, 16 bytes long.
Data: < D > A8 07 20 A3 44 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000244A3215CF0, 16 bytes long.
Data: < D > 80 07 20 A3 44 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000244A32163D0, 16 bytes long.
Data: <X D > 58 07 20 A3 44 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000244A320FC20, 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 0x00000244A3215C50, 16 bytes long.
Data: <0 D > 30 07 20 A3 44 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000244A3200730, 320 bytes long.
Data: <P\! D D > 50 5C 21 A3 44 02 00 00 20 FC 20 A3 44 02 00 00
{276} normal block at 0x00000244A32168D0, 16 bytes long.
Data: < n! D > 00 6E 21 A3 44 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000244A3216880, 16 bytes long.
Data: < m! D > D8 6D 21 A3 44 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000244A320F680, 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 0x00000244A3216380, 16 bytes long.
Data: < m! D > B0 6D 21 A3 44 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000244A3210460, 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 0x00000244A3215ED0, 16 bytes long.
Data: < l! D > F8 6C 21 A3 44 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000244A32167E0, 16 bytes long.
Data: < l! D > D0 6C 21 A3 44 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000244A32162E0, 16 bytes long.
Data: < l! D > A8 6C 21 A3 44 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000244A3216B50, 16 bytes long.
Data: < l! D > 80 6C 21 A3 44 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000244A3215E30, 16 bytes long.
Data: <Xl! D > 58 6C 21 A3 44 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000244A3216970, 16 bytes long.
Data: <0l! D > 30 6C 21 A3 44 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000244A3215F20, 16 bytes long.
Data: <`P! D > 60 50 21 A3 44 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000244A3215060, 40 bytes long.
Data: < _! D D > 20 5F 21 A3 44 02 00 00 B0 95 20 A3 44 02 00 00
{262} normal block at 0x00000244A3216B00, 16 bytes long.
Data: < l! D > 10 6C 21 A3 44 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000244A3215C00, 16 bytes long.
Data: < k! D > E8 6B 21 A3 44 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000244A320FFE0, 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 0x00000244A3216AB0, 16 bytes long.
Data: < k! D > C0 6B 21 A3 44 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000244A3216BC0, 992 bytes long.
Data: < j! D D > B0 6A 21 A3 44 02 00 00 E0 FF 20 A3 44 02 00 00
{94} normal block at 0x00000244A3210040, 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 0x00000244A320E070, 16 bytes long.
Data: < D > 00 CD 1F A3 44 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x00000244A31FCD00, 40 bytes long.
Data: <p D @ ! D > 70 E0 20 A3 44 02 00 00 40 00 21 A3 44 02 00 00
{71} normal block at 0x00000244A320DA30, 16 bytes long.
Data: < > 80 EA B9 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000244A320E5C0, 16 bytes long.
Data: <@ > 40 E9 B9 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000244A320E430, 16 bytes long.
Data: < W > F8 57 B6 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000244A320E3E0, 16 bytes long.
Data: < W > D8 57 B6 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000244A320DCB0, 16 bytes long.
Data: <P > 50 04 B6 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000244A320DDA0, 16 bytes long.
Data: <0 > 30 04 B6 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000244A320D850, 16 bytes long.
Data: < > E0 02 B6 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000244A320D6C0, 16 bytes long.
Data: < > 10 04 B6 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000244A320E020, 16 bytes long.
Data: <p > 70 04 B6 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000244A320D8F0, 16 bytes long.
Data: < > 18 C0 B4 20 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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