Task 38687433
| Name | test_8-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND2091_0 |
| Workunit | 31628823 |
| Created | 28 Oct 2026, 7:48:49 UTC |
| Sent | 28 Oct 2026, 7:49:02 UTC |
| Report deadline | 2 Nov 2026, 7:49:02 UTC |
| Received | 28 Oct 2026, 20:17:38 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 639137 |
| Run time | 25 min 44 sec |
| CPU time | 23 min 10 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,451.30 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 714.33 MB |
| Peak swap size | 8.31 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
11:50:49 (48392): wrapper (7.9.26016): starting
11:50:49 (48392): 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
11:50:51 (48392): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:50:51 (48392): 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\10\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\10\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) : {3835299} normal block at 0x00000236284EDD70, 8 bytes long.
Data: < (6 > 00 00 A8 28 36 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833967} normal block at 0x00000236284DD760, 1080 bytes long.
Data: <p > 70 DB 00 00 CD CD CD CD EC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000236284F0D10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
00:00:00 (47364): wrapper (7.9.26016): starting
00:00:00 (47364): 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\10\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
00:17:01 (47364): C:/Windows/system32/cmd.exe exited; CPU time 996.828125
00:17:01 (47364): 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: 29278423 bytes.
Dumping objects ->
{1726} normal block at 0x00000249C3684B20, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1715} normal block at 0x00000249C3684F80, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1704} normal block at 0x00000249C3684E30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1693} normal block at 0x00000249C3684C00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1682} normal block at 0x00000249C3684EA0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1651} normal block at 0x00000249C3679070, 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) : {1638} normal block at 0x00000249C3686110, 8 bytes long.
Data: < ] I > 00 00 5D C3 49 02 00 00
{307} normal block at 0x00000249C3685850, 8 bytes long.
Data: < jh I > A0 6A 68 C3 49 02 00 00
{298} normal block at 0x00000249C366FB00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x00000249C36857B0, 16 bytes long.
Data: < ih I > A8 69 68 C3 49 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000249C3685D50, 16 bytes long.
Data: < ih I > 80 69 68 C3 49 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000249C367FAC0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x00000249C3686430, 16 bytes long.
Data: <Xih I > 58 69 68 C3 49 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000249C3685760, 16 bytes long.
Data: <0ih I > 30 69 68 C3 49 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000249C3685AD0, 16 bytes long.
Data: < ih I > 08 69 68 C3 49 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000249C3685E40, 16 bytes long.
Data: < hh I > E0 68 68 C3 49 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000249C36850D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x00000249C3685B20, 16 bytes long.
Data: <x g I > 78 01 67 C3 49 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000249C36802A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x00000249C3686340, 16 bytes long.
Data: <P g I > 50 01 67 C3 49 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000249C3686070, 16 bytes long.
Data: <( g I > 28 01 67 C3 49 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000249C36860C0, 16 bytes long.
Data: < g I > 00 01 67 C3 49 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000249C3685BC0, 16 bytes long.
Data: < g I > D8 00 67 C3 49 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000249C3685F80, 16 bytes long.
Data: < g I > B0 00 67 C3 49 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000249C36859E0, 16 bytes long.
Data: < g I > 88 00 67 C3 49 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000249C36804E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x00000249C3685710, 16 bytes long.
Data: <` g I > 60 00 67 C3 49 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000249C3670060, 320 bytes long.
Data: < Wh I h I > 10 57 68 C3 49 02 00 00 E0 04 68 C3 49 02 00 00
{277} normal block at 0x00000249C36863E0, 16 bytes long.
Data: < hh I > C0 68 68 C3 49 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000249C3686570, 16 bytes long.
Data: < hh I > 98 68 68 C3 49 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000249C3680240, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x00000249C36864D0, 16 bytes long.
Data: <phh I > 70 68 68 C3 49 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000249C36800C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x00000249C3685800, 16 bytes long.
Data: < gh I > B8 67 68 C3 49 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000249C36856C0, 16 bytes long.
Data: < gh I > 90 67 68 C3 49 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000249C3685D00, 16 bytes long.
Data: <hgh I > 68 67 68 C3 49 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000249C3686520, 16 bytes long.
Data: <@gh I > 40 67 68 C3 49 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000249C36862F0, 16 bytes long.
Data: < gh I > 18 67 68 C3 49 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000249C3686160, 16 bytes long.
Data: < fh I > F0 66 68 C3 49 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000249C3685E90, 16 bytes long.
Data: <@Qh I > 40 51 68 C3 49 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000249C3685140, 40 bytes long.
Data: < ^h I p g I > 90 5E 68 C3 49 02 00 00 70 90 67 C3 49 02 00 00
{263} normal block at 0x00000249C36858F0, 16 bytes long.
Data: < fh I > D0 66 68 C3 49 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000249C36862A0, 16 bytes long.
Data: < fh I > A8 66 68 C3 49 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000249C3680420, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x00000249C3685CB0, 16 bytes long.
Data: < fh I > 80 66 68 C3 49 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000249C3686680, 992 bytes long.
Data: < \h I h I > B0 5C 68 C3 49 02 00 00 20 04 68 C3 49 02 00 00
{95} normal block at 0x00000249C367FBE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x00000249C367DE50, 16 bytes long.
Data: < Oh I > F0 4F 68 C3 49 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x00000249C3684FF0, 40 bytes long.
Data: <P g I g I > 50 DE 67 C3 49 02 00 00 E0 FB 67 C3 49 02 00 00
{72} normal block at 0x00000249C367D950, 16 bytes long.
Data: < ts > 80 EA 74 73 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000249C367DF40, 16 bytes long.
Data: <@ ts > 40 E9 74 73 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000249C367D360, 16 bytes long.
Data: < Wqs > F8 57 71 73 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000249C367DD60, 16 bytes long.
Data: < Wqs > D8 57 71 73 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000249C367DDB0, 16 bytes long.
Data: <P qs > 50 04 71 73 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000249C367D770, 16 bytes long.
Data: <0 qs > 30 04 71 73 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000249C367DEF0, 16 bytes long.
Data: < qs > E0 02 71 73 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000249C367D8B0, 16 bytes long.
Data: < qs > 10 04 71 73 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000249C367D2C0, 16 bytes long.
Data: <p qs > 70 04 71 73 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000249C367DB30, 16 bytes long.
Data: < os > 18 C0 6F 73 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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