Task 38690309
| Name | test_686-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND9541_0 |
| Workunit | 31631468 |
| Created | 29 Oct 2026, 4:04:26 UTC |
| Sent | 29 Oct 2026, 4:04:29 UTC |
| Report deadline | 3 Nov 2026, 4:04:29 UTC |
| Received | 3 Nov 2026, 11:38:18 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652146 |
| Run time | 1 hours 48 min 18 sec |
| CPU time | 1 hours 39 min 2 sec |
| Validate state | Task was reported too late to validate |
| Credit | 0.00 |
| Device peak FLOPS | 9,332.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 716.05 MB |
| Peak swap size | 6.85 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
08:51:45 (16160): wrapper (7.9.26016): starting
08:51:45 (16160): 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
08:51:50 (16160): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:51:50 (16160): 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\2\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\2\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) : {3835525} normal block at 0x000001E78BBAEE60, 8 bytes long.
Data: < > 00 00 0C 8C E7 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833962} normal block at 0x000001E78D80EA00, 1080 bytes long.
Data: < 8 > 88 13 00 00 CD CD CD CD 38 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001E78BBA69E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:54:11 (10736): wrapper (7.9.26016): starting
10:54:11 (10736): 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\2\tmp already exists.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850208} normal block at 0x0000024FE0ECE950, 8 bytes long.
Data: < O > 00 00 9A E2 4F 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848645} normal block at 0x0000024FE2C374A0, 1080 bytes long.
Data: < 9 > D0 39 00 00 CD CD CD CD F8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000024FE0EC79F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:53:06 (18436): wrapper (7.9.26016): starting
11:53:06 (18436): 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\2\tmp already exists.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850208} normal block at 0x000001C66265ECF0, 8 bytes long.
Data: < b > 00 00 A9 62 C6 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848645} normal block at 0x000001C66438AA70, 1080 bytes long.
Data: < . < > A4 2E 00 00 CD CD CD CD 3C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001C662656230, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
22:24:35 (16136): wrapper (7.9.26016): starting
22:24:35 (16136): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850208} normal block at 0x000001E27E9BEFA0, 8 bytes long.
Data: < ~ > 00 00 F0 7E E2 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848645} normal block at 0x000001E27F3AE360, 1080 bytes long.
Data: < 9 > 88 39 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001E27E9B6670, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
00:57:09 (17288): wrapper (7.9.26016): starting
00:57:09 (17288): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850208} normal block at 0x0000027A7061E940, 8 bytes long.
Data: < pz > 00 00 A6 70 7A 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848645} normal block at 0x0000027A7060DDC0, 1080 bytes long.
Data: < 1 \ > AC 31 00 00 CD CD CD CD 5C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000027A70617B10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
01:22:43 (6600): wrapper (7.9.26016): starting
01:22:43 (6600): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850208} normal block at 0x000002C7C1A2E6B0, 8 bytes long.
Data: < > 00 00 DC C1 C7 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848645} normal block at 0x000002C7C1B0EB60, 1080 bytes long.
Data: <d H > 64 15 00 00 CD CD CD CD 48 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002C7C1A26CD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
06:29:57 (2828): wrapper (7.9.26016): starting
06:29:57 (2828): 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\2\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
06:37:27 (2828): C:/Windows/system32/cmd.exe exited; CPU time 401.109375
06:37:27 (2828): 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: 5222134 bytes.
Dumping objects ->
{3850296} normal block at 0x000001AD1C9AE170, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850285} normal block at 0x000001AD1C9AD8B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850274} normal block at 0x000001AD1C9ADCA0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3850263} normal block at 0x000001AD1AC955E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850252} normal block at 0x000001AD1AC95570, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3850221} normal block at 0x000001AD1C9F88B0, 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) : {3850208} normal block at 0x000001AD1AC8E780, 8 bytes long.
Data: < ­ > 00 00 17 1B AD 01 00 00
{3848646} normal block at 0x000001AD1AC8ED70, 8 bytes long.
Data: < ê ­ > 00 EA 8D 1C AD 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001AD1AC86260, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001AD1AC87F40, 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 0x000001AD1AC96740, 16 bytes long.
Data: <(kÉ ­ > 28 6B C9 1A AD 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001AD1AC959D0, 16 bytes long.
Data: < kÉ ­ > 00 6B C9 1A AD 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001AD1AC90430, 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 0x000001AD1AC961F0, 16 bytes long.
Data: <ØjÉ ­ > D8 6A C9 1A AD 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001AD1AC966F0, 16 bytes long.
Data: <°jÉ ­ > B0 6A C9 1A AD 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001AD1AC96650, 16 bytes long.
Data: < jÉ ­ > 88 6A C9 1A AD 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001AD1AC95930, 16 bytes long.
Data: <`jÉ ­ > 60 6A C9 1A AD 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001AD1AC95650, 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 0x000001AD1AC96330, 16 bytes long.
Data: <HüÇ ­ > 48 FC C7 1A AD 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001AD1AC90FD0, 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 0x000001AD1AC95F20, 16 bytes long.
Data: < üÇ ­ > 20 FC C7 1A AD 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001AD1AC96290, 16 bytes long.
Data: <øûÇ ­ > F8 FB C7 1A AD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001AD1AC96600, 16 bytes long.
Data: <ÐûÇ ­ > D0 FB C7 1A AD 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001AD1AC95980, 16 bytes long.
Data: <¨ûÇ ­ > A8 FB C7 1A AD 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001AD1AC95AC0, 16 bytes long.
Data: < ûÇ ­ > 80 FB C7 1A AD 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001AD1AC958E0, 16 bytes long.
Data: <XûÇ ­ > 58 FB C7 1A AD 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001AD1AC90DF0, 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 0x000001AD1AC96380, 16 bytes long.
Data: <0ûÇ ­ > 30 FB C7 1A AD 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001AD1AC7FB30, 320 bytes long.
Data: < cÉ ­ ð É ­ > 80 63 C9 1A AD 01 00 00 F0 0D C9 1A AD 01 00 00
{277} normal block at 0x000001AD1AC96790, 16 bytes long.
Data: <@jÉ ­ > 40 6A C9 1A AD 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001AD1AC962E0, 16 bytes long.
Data: < jÉ ­ > 18 6A C9 1A AD 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001AD1AC90970, 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 0x000001AD1AC965B0, 16 bytes long.
Data: <ðiÉ ­ > F0 69 C9 1A AD 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001AD1AC90130, 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 0x000001AD1AC966A0, 16 bytes long.
Data: <8iÉ ­ > 38 69 C9 1A AD 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001AD1AC95CF0, 16 bytes long.
Data: < iÉ ­ > 10 69 C9 1A AD 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001AD1AC95C50, 16 bytes long.
Data: <èhÉ ­ > E8 68 C9 1A AD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001AD1AC96560, 16 bytes long.
Data: <ÀhÉ ­ > C0 68 C9 1A AD 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001AD1AC95C00, 16 bytes long.
Data: < hÉ ­ > 98 68 C9 1A AD 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001AD1AC964C0, 16 bytes long.
Data: <phÉ ­ > 70 68 C9 1A AD 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001AD1AC96470, 16 bytes long.
Data: < UÉ ­ > 00 55 C9 1A AD 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001AD1AC95500, 40 bytes long.
Data: <pdÉ ­ ° Ÿ ­ > 70 64 C9 1A AD 01 00 00 B0 88 9F 1C AD 01 00 00
{263} normal block at 0x000001AD1AC95840, 16 bytes long.
Data: <PhÉ ­ > 50 68 C9 1A AD 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001AD1AC96510, 16 bytes long.
Data: <(hÉ ­ > 28 68 C9 1A AD 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001AD1AC90910, 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 0x000001AD1AC963D0, 16 bytes long.
Data: < hÉ ­ > 00 68 C9 1A AD 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001AD1AC96800, 992 bytes long.
Data: <ÐcÉ ­ É ­ > D0 63 C9 1A AD 01 00 00 10 09 C9 1A AD 01 00 00
{95} normal block at 0x000001AD1AC90A30, 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 0x000001AD1AC8EA50, 16 bytes long.
Data: < TÉ ­ > 90 54 C9 1A AD 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001AD1AC95490, 40 bytes long.
Data: <PêÈ ­ 0 É ­ > 50 EA C8 1A AD 01 00 00 30 0A C9 1A AD 01 00 00
{72} normal block at 0x000001AD1AC8EA00, 16 bytes long.
Data: < ê û÷ > 80 EA 7F FB F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001AD1AC8F360, 16 bytes long.
Data: <@é û÷ > 40 E9 7F FB F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001AD1AC8E960, 16 bytes long.
Data: <øW|û÷ > F8 57 7C FB F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001AD1AC8E9B0, 16 bytes long.
Data: <ØW|û÷ > D8 57 7C FB F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001AD1AC8F3B0, 16 bytes long.
Data: <P |û÷ > 50 04 7C FB F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001AD1AC8F310, 16 bytes long.
Data: <0 |û÷ > 30 04 7C FB F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001AD1AC8EFA0, 16 bytes long.
Data: <à |û÷ > E0 02 7C FB F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001AD1AC8EC30, 16 bytes long.
Data: < |û÷ > 10 04 7C FB F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001AD1AC8F2C0, 16 bytes long.
Data: <p |û÷ > 70 04 7C FB F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001AD1AC8E870, 16 bytes long.
Data: < Àzû÷ > 18 C0 7A FB F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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