Task 38685852
| Name | test_757-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND7794_0 |
| Workunit | 31627306 |
| Created | 27 Oct 2026, 23:15:35 UTC |
| Sent | 27 Oct 2026, 23:15:38 UTC |
| Report deadline | 1 Nov 2026, 23:15:38 UTC |
| Received | 28 Oct 2026, 3:08:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 623034 |
| Run time | 23 min 2 sec |
| CPU time | 21 min 26 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 44,609.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 701.15 MB |
| Peak swap size | 9.98 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
20:35:35 (30200): wrapper (7.9.26016): starting
20:35:35 (30200): 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
20:35:36 (30200): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:35:36 (30200): 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\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 'C:\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835117} normal block at 0x0000022252EFEB50, 8 bytes long.
Data: < SS" > 00 00 53 53 22 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x0000022254CD6650, 1080 bytes long.
Data: < @ > 14 12 00 00 CD CD CD CD 40 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000022252F013E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
21:45:57 (11032): wrapper (7.9.26016): starting
21:45:57 (11032): 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\24\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
22:08:34 (11032): C:/Windows/system32/cmd.exe exited; CPU time 1286.875000
22:08:34 (11032): 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: 28267179 bytes.
Dumping objects ->
{1546} normal block at 0x0000024306234870, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1535} normal block at 0x0000024306234B80, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1524} normal block at 0x0000024306234800, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1513} normal block at 0x0000024306234AA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1502} normal block at 0x0000024306234C60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1471} normal block at 0x000002430622E750, 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) : {1458} normal block at 0x00000243062356C0, 8 bytes long.
Data: < C > 00 00 CC 07 43 02 00 00
{310} normal block at 0x0000024306235A80, 8 bytes long.
Data: < g# C > 80 67 23 06 43 02 00 00
{301} normal block at 0x0000024306225CF0, 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 0x00000243062360C0, 16 bytes long.
Data: < f# C > 88 66 23 06 43 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000024306236200, 16 bytes long.
Data: <`f# C > 60 66 23 06 43 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000024306230220, 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 0x0000024306235760, 16 bytes long.
Data: <8f# C > 38 66 23 06 43 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000024306235E40, 16 bytes long.
Data: < f# C > 10 66 23 06 43 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000024306235CB0, 16 bytes long.
Data: < e# C > E8 65 23 06 43 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000024306236160, 16 bytes long.
Data: < e# C > C0 65 23 06 43 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024306234B10, 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 0x0000024306236070, 16 bytes long.
Data: < " C > 18 88 22 06 43 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002430622FBC0, 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 0x0000024306235FD0, 16 bytes long.
Data: < " C > F0 87 22 06 43 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024306236250, 16 bytes long.
Data: < " C > C8 87 22 06 43 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024306235620, 16 bytes long.
Data: < " C > A0 87 22 06 43 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024306235C10, 16 bytes long.
Data: <x " C > 78 87 22 06 43 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024306235580, 16 bytes long.
Data: <P " C > 50 87 22 06 43 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024306235DF0, 16 bytes long.
Data: <( " C > 28 87 22 06 43 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002430622FDA0, 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 0x0000024306235A30, 16 bytes long.
Data: < " C > 00 87 22 06 43 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024306228700, 320 bytes long.
Data: <0Z# C " C > 30 5A 23 06 43 02 00 00 A0 FD 22 06 43 02 00 00
{280} normal block at 0x0000024306235490, 16 bytes long.
Data: < e# C > A0 65 23 06 43 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024306235C60, 16 bytes long.
Data: <xe# C > 78 65 23 06 43 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002430622FF80, 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 0x0000024306235BC0, 16 bytes long.
Data: <Pe# C > 50 65 23 06 43 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000243062301C0, 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 0x0000024306236020, 16 bytes long.
Data: < d# C > 98 64 23 06 43 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000243062355D0, 16 bytes long.
Data: <pd# C > 70 64 23 06 43 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000243062362A0, 16 bytes long.
Data: <Hd# C > 48 64 23 06 43 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024306235710, 16 bytes long.
Data: < d# C > 20 64 23 06 43 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000243062358A0, 16 bytes long.
Data: < c# C > F8 63 23 06 43 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024306235670, 16 bytes long.
Data: < c# C > D0 63 23 06 43 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024306235530, 16 bytes long.
Data: < K# C > F0 4B 23 06 43 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024306234BF0, 40 bytes long.
Data: <0U# C P " C > 30 55 23 06 43 02 00 00 50 E7 22 06 43 02 00 00
{266} normal block at 0x0000024306235B20, 16 bytes long.
Data: < c# C > B0 63 23 06 43 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024306235B70, 16 bytes long.
Data: < c# C > 88 63 23 06 43 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002430622FD40, 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 0x0000024306235D50, 16 bytes long.
Data: <`c# C > 60 63 23 06 43 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024306236360, 992 bytes long.
Data: <P]# C @ " C > 50 5D 23 06 43 02 00 00 40 FD 22 06 43 02 00 00
{98} normal block at 0x000002430622FF20, 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 0x000002430622ED50, 16 bytes long.
Data: < ! C > D0 D9 21 06 43 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000002430621D9D0, 40 bytes long.
Data: <P " C " C > 50 ED 22 06 43 02 00 00 20 FF 22 06 43 02 00 00
{75} normal block at 0x000002430622EE90, 16 bytes long.
Data: < $# > 80 EA 24 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002430622F020, 16 bytes long.
Data: <@ $# > 40 E9 24 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002430622EF80, 16 bytes long.
Data: < W!# > F8 57 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002430622F660, 16 bytes long.
Data: < W!# > D8 57 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002430622EAD0, 16 bytes long.
Data: <P !# > 50 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002430622EB20, 16 bytes long.
Data: <0 !# > 30 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002430622F340, 16 bytes long.
Data: < !# > E0 02 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002430622E850, 16 bytes long.
Data: < !# > 10 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002430622EA80, 16 bytes long.
Data: <p !# > 70 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002430622F610, 16 bytes long.
Data: < # > 18 C0 1F 23 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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