Task 38696173
| Name | test_954-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND1931_0 |
| Workunit | 31636820 |
| Created | 31 Oct 2026, 20:07:10 UTC |
| Sent | 31 Oct 2026, 20:07:15 UTC |
| Report deadline | 5 Nov 2026, 20:07:15 UTC |
| Received | 31 Oct 2026, 21:10:41 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 578932 |
| Run time | 25 min 52 sec |
| CPU time | 24 min 35 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 34,102.83 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 713.43 MB |
| Peak swap size | 10.01 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:10:13 (21656): wrapper (7.9.26016): starting
20:10:13 (21656): 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
20:10:14 (21656): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:10:14 (21656): 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 'D:\BOINC\slots\6\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 'D:\BOINC\slots\6\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) : {3835207} normal block at 0x000001C80A5B9190, 8 bytes long.
Data: < > 00 00 0E 0C C8 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833999} normal block at 0x000001C80A69EB20, 1080 bytes long.
Data: <T > 54 83 00 00 CD CD CD CD 98 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {329} normal block at 0x000001C80A5C19C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
20:58:02 (20492): wrapper (7.9.26016): starting
20:58:02 (20492): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\6\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
21:10:17 (20492): C:/Windows/system32/cmd.exe exited; CPU time 726.281250
21:10:17 (20492): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 18673458 bytes.
Dumping objects ->
{1618} normal block at 0x000002186FE969F0, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1607} normal block at 0x000002186FE8D580, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1596} normal block at 0x000002186FE8E1E0, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{1585} normal block at 0x000002186FE8D7C0, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1574} normal block at 0x000002186FE8D520, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{1543} normal block at 0x000002186FE96D70, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
..\api\boinc_api.cpp(309) : {1530} normal block at 0x000002186FE97DA0, 8 bytes long.
Data: < o > 00 00 E3 6F 18 02 00 00
{323} normal block at 0x000002186FE97300, 8 bytes long.
Data: < W o > D0 57 E9 6F 18 02 00 00
{314} normal block at 0x000002186FE91570, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{313} normal block at 0x000002186FE97580, 16 bytes long.
Data: < o > B8 83 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{312} normal block at 0x000002186FE97530, 16 bytes long.
Data: < o > 90 83 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{311} normal block at 0x000002186FE8DE20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{310} normal block at 0x000002186FE97490, 16 bytes long.
Data: <h o > 68 83 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x000002186FE98020, 16 bytes long.
Data: <@ o > 40 83 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x000002186FE97FD0, 16 bytes long.
Data: < o > 18 83 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x000002186FE97800, 16 bytes long.
Data: < o > F0 82 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x000002186FE96BB0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{305} normal block at 0x000002186FE97440, 16 bytes long.
Data: < o > 08 15 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000002186FE8DFA0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{303} normal block at 0x000002186FE97F80, 16 bytes long.
Data: < o > E0 14 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000002186FE97F30, 16 bytes long.
Data: < o > B8 14 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002186FE97E40, 16 bytes long.
Data: < o > 90 14 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002186FE97EE0, 16 bytes long.
Data: <h o > 68 14 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002186FE97D50, 16 bytes long.
Data: <@ o > 40 14 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002186FE97DF0, 16 bytes long.
Data: < o > 18 14 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002186FE8DA60, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{295} normal block at 0x000002186FE976C0, 16 bytes long.
Data: < o > F0 13 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002186FE913F0, 320 bytes long.
Data: < v o ` o > C0 76 E9 6F 18 02 00 00 60 DA E8 6F 18 02 00 00
{293} normal block at 0x000002186FE973F0, 16 bytes long.
Data: < o > D0 82 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002186FE97710, 16 bytes long.
Data: < o > A8 82 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002186FE8DCA0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{290} normal block at 0x000002186FE974E0, 16 bytes long.
Data: < o > 80 82 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002186FE8D880, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{288} normal block at 0x000002186FE97C60, 16 bytes long.
Data: < o > C8 81 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002186FE979E0, 16 bytes long.
Data: < o > A0 81 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002186FE972B0, 16 bytes long.
Data: <x o > 78 81 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002186FE97D00, 16 bytes long.
Data: <P o > 50 81 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002186FE97990, 16 bytes long.
Data: <( o > 28 81 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002186FE970D0, 16 bytes long.
Data: < o > 00 81 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002186FE97B70, 16 bytes long.
Data: < b o > 80 62 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002186FE96280, 40 bytes long.
Data: <p{ o pm o > 70 7B E9 6F 18 02 00 00 70 6D E9 6F 18 02 00 00
{279} normal block at 0x000002186FE97E90, 16 bytes long.
Data: < o > E0 80 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002186FE973A0, 16 bytes long.
Data: < o > B8 80 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002186FE8D3A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{276} normal block at 0x000002186FE97940, 16 bytes long.
Data: < o > 90 80 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002186FE98090, 992 bytes long.
Data: <@y o o > 40 79 E9 6F 18 02 00 00 A0 D3 E8 6F 18 02 00 00
{111} normal block at 0x000002186FE8D640, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{110} normal block at 0x000002186FE89050, 16 bytes long.
Data: < # o > 10 23 E9 6F 18 02 00 00 00 00 00 00 00 00 00 00
{109} normal block at 0x000002186FE92310, 40 bytes long.
Data: <P o @ o > 50 90 E8 6F 18 02 00 00 40 D6 E8 6F 18 02 00 00
{88} normal block at 0x000002186FE892D0, 16 bytes long.
Data: < > 80 EA 00 A2 F7 7F 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000002186FE89370, 16 bytes long.
Data: <@ > 40 E9 00 A2 F7 7F 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000002186FE88F60, 16 bytes long.
Data: < W > F8 57 FD A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000002186FE88F10, 16 bytes long.
Data: < W > D8 57 FD A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000002186FE88B50, 16 bytes long.
Data: <P > 50 04 FD A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x000002186FE88B00, 16 bytes long.
Data: <0 > 30 04 FD A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x000002186FE88D80, 16 bytes long.
Data: < > E0 02 FD A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x000002186FE88D30, 16 bytes long.
Data: < > 10 04 FD A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x000002186FE88E20, 16 bytes long.
Data: <p > 70 04 FD A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000002186FE88A10, 16 bytes long.
Data: < > 18 C0 FB A1 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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