Task 38666452
| Name | test_860-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND1873_0 |
| Workunit | 31609357 |
| Created | 25 Oct 2026, 3:18:28 UTC |
| Sent | 25 Oct 2026, 3:26:03 UTC |
| Report deadline | 30 Oct 2026, 3:26:03 UTC |
| Received | 26 Oct 2026, 23:26:50 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654840 |
| Run time | 2 hours 1 min 3 sec |
| CPU time | 1 hours 31 min 30 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,029.85 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 740.73 MB |
| Peak swap size | 8.40 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:38:56 (64800): wrapper (7.9.26016): starting
08:38:56 (64800): 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
08:38:58 (64800): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:38:58 (64800): 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) : {3835397} normal block at 0x00000272894C9300, 8 bytes long.
Data: < r > 00 00 D7 89 72 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833948} normal block at 0x00000272894FC950, 1080 bytes long.
Data: < S > D8 53 00 00 CD CD CD CD 10 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000272894C5400, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:48:26 (58400): wrapper (7.9.26016): starting
11:48:26 (58400): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1748} normal block at 0x0000017E6AF84440, 8 bytes long.
Data: < k~ > 00 00 16 6B 7E 01 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x0000017E6AF835D0, 1080 bytes long.
Data: <|| p > 7C 7C 00 00 CD CD CD CD 70 00 00 00 00 00 00 00
Object dump complete.
12:40:32 (24396): wrapper (7.9.26016): starting
12:40:32 (24396): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1748} normal block at 0x0000024CA0B94BC0, 8 bytes long.
Data: < L > 00 00 EC A0 4C 02 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x0000024CA0B935D0, 1080 bytes long.
Data: <8 > 38 F2 00 00 CD CD CD CD 94 01 00 00 00 00 00 00
Object dump complete.
13:55:32 (75608): wrapper (7.9.26016): starting
13:55:32 (75608): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1748} normal block at 0x000002EF8E4E4EE0, 8 bytes long.
Data: < > 00 00 86 8E EF 02 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x000002EF8E4E35D0, 1080 bytes long.
Data: < 5 > AC 35 01 00 CD CD CD CD 98 01 00 00 00 00 00 00
Object dump complete.
14:00:40 (61392): wrapper (7.9.26016): starting
14:00:40 (61392): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1748} normal block at 0x000001E7C0D64E40, 8 bytes long.
Data: < > 00 00 F3 C0 E7 01 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x000001E7C0D635D0, 1080 bytes long.
Data: < + x > C0 2B 01 00 CD CD CD CD 78 01 00 00 00 00 00 00
Object dump complete.
14:05:46 (78992): wrapper (7.9.26016): starting
14:05:46 (78992): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1748} normal block at 0x0000021914934CB0, 8 bytes long.
Data: < > 00 00 8D 14 19 02 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x00000219149335D0, 1080 bytes long.
Data: < > 90 DA 00 00 CD CD CD CD 98 01 00 00 00 00 00 00
Object dump complete.
15:05:01 (80372): wrapper (7.9.26016): starting
15:05:01 (80372): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1748} normal block at 0x000001AD237C4710, 8 bytes long.
Data: < # > 00 00 A9 23 AD 01 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x000001AD237C35D0, 1080 bytes long.
Data: < C > E0 43 01 00 CD CD CD CD 90 01 00 00 00 00 00 00
Object dump complete.
15:10:14 (56132): wrapper (7.9.26016): starting
15:10:14 (56132): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1748} normal block at 0x00000207C77D4C10, 8 bytes long.
Data: < v > 00 00 76 C7 07 02 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x00000207C77D35D0, 1080 bytes long.
Data: <4 > 34 A8 00 00 CD CD CD CD 90 01 00 00 00 00 00 00
Object dump complete.
15:57:27 (86472): wrapper (7.9.26016): starting
15:57:27 (86472): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1748} normal block at 0x000002CE68BB4710, 8 bytes long.
Data: < h > 00 00 B4 68 CE 02 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x000002CE68BB35D0, 1080 bytes long.
Data: < R > 04 52 01 00 CD CD CD CD 90 01 00 00 00 00 00 00
Object dump complete.
17:35:27 (72624): wrapper (7.9.26016): starting
17:35:27 (72624): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1748} normal block at 0x000002BF6F6A5390, 8 bytes long.
Data: < fo > 00 00 66 6F BF 02 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x000002BF6F6A35D0, 1080 bytes long.
Data: < ` > 18 60 01 00 CD CD CD CD A4 01 00 00 00 00 00 00
Object dump complete.
17:40:47 (80504): wrapper (7.9.26016): starting
17:40:47 (80504): 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
18:26:24 (80504): C:/Windows/system32/cmd.exe exited; CPU time 1904.468750
18:26:24 (80504): 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: 57756 bytes.
Total allocations: 96267506 bytes.
Dumping objects ->
{1836} normal block at 0x000002267EE53D10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1825} normal block at 0x000002267EE53CA0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1814} normal block at 0x000002267EE53C30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1803} normal block at 0x000002267EE54100, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1792} normal block at 0x000002267EE542C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1761} normal block at 0x000002267EE3F870, 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) : {1748} normal block at 0x000002267EE54940, 8 bytes long.
Data: < & > 00 00 20 7F 26 02 00 00
{300} normal block at 0x000002267EE54DA0, 8 bytes long.
Data: < 5 ~& > D0 35 E5 7E 26 02 00 00
{291} normal block at 0x000002267EE4F270, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x000002267EE55070, 16 bytes long.
Data: <(W ~& > 28 57 E5 7E 26 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002267EE548A0, 16 bytes long.
Data: < W ~& > 00 57 E5 7E 26 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002267EE50580, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x000002267EE54EE0, 16 bytes long.
Data: < V ~& > D8 56 E5 7E 26 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002267EE54B70, 16 bytes long.
Data: < V ~& > B0 56 E5 7E 26 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002267EE54850, 16 bytes long.
Data: < V ~& > 88 56 E5 7E 26 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002267EE54B20, 16 bytes long.
Data: <`V ~& > 60 56 E5 7E 26 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002267EE54090, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x000002267EE55390, 16 bytes long.
Data: <x ~& > 78 F4 E3 7E 26 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002267EE4FAA0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x000002267EE550C0, 16 bytes long.
Data: <P ~& > 50 F4 E3 7E 26 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002267EE55340, 16 bytes long.
Data: <( ~& > 28 F4 E3 7E 26 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002267EE54D50, 16 bytes long.
Data: < ~& > 00 F4 E3 7E 26 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002267EE55250, 16 bytes long.
Data: < ~& > D8 F3 E3 7E 26 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002267EE55200, 16 bytes long.
Data: < ~& > B0 F3 E3 7E 26 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002267EE54D00, 16 bytes long.
Data: < ~& > 88 F3 E3 7E 26 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002267EE4FC80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x000002267EE54C60, 16 bytes long.
Data: <` ~& > 60 F3 E3 7E 26 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002267EE3F360, 320 bytes long.
Data: <`L ~& ~& > 60 4C E5 7E 26 02 00 00 80 FC E4 7E 26 02 00 00
{270} normal block at 0x000002267EE54CB0, 16 bytes long.
Data: <@V ~& > 40 56 E5 7E 26 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002267EE54F30, 16 bytes long.
Data: < V ~& > 18 56 E5 7E 26 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002267EE503A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x000002267EE55020, 16 bytes long.
Data: < U ~& > F0 55 E5 7E 26 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002267EE504C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x000002267EE54FD0, 16 bytes long.
Data: <8U ~& > 38 55 E5 7E 26 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002267EE54800, 16 bytes long.
Data: < U ~& > 10 55 E5 7E 26 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002267EE551B0, 16 bytes long.
Data: < T ~& > E8 54 E5 7E 26 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002267EE552F0, 16 bytes long.
Data: < T ~& > C0 54 E5 7E 26 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002267EE54E40, 16 bytes long.
Data: < T ~& > 98 54 E5 7E 26 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002267EE54A80, 16 bytes long.
Data: <pT ~& > 70 54 E5 7E 26 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002267EE55160, 16 bytes long.
Data: <0C ~& > 30 43 E5 7E 26 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002267EE54330, 40 bytes long.
Data: <`Q ~& p ~& > 60 51 E5 7E 26 02 00 00 70 F8 E3 7E 26 02 00 00
{256} normal block at 0x000002267EE54990, 16 bytes long.
Data: <PT ~& > 50 54 E5 7E 26 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002267EE548F0, 16 bytes long.
Data: <(T ~& > 28 54 E5 7E 26 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000002267EE4FA40, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x000002267EE54E90, 16 bytes long.
Data: < T ~& > 00 54 E5 7E 26 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000002267EE55400, 992 bytes long.
Data: < N ~& @ ~& > 90 4E E5 7E 26 02 00 00 40 FA E4 7E 26 02 00 00
{88} normal block at 0x000002267EE4F9E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x000002267EE49940, 16 bytes long.
Data: < ~& > 80 D8 E3 7E 26 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000002267EE3D880, 40 bytes long.
Data: <@ ~& ~& > 40 99 E4 7E 26 02 00 00 E0 F9 E4 7E 26 02 00 00
{65} normal block at 0x000002267EE49300, 16 bytes long.
Data: < 6S > 80 EA 36 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002267EE49DF0, 16 bytes long.
Data: <@ 6S > 40 E9 36 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002267EE491C0, 16 bytes long.
Data: < W3S > F8 57 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002267EE495D0, 16 bytes long.
Data: < W3S > D8 57 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002267EE49B20, 16 bytes long.
Data: <P 3S > 50 04 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002267EE49DA0, 16 bytes long.
Data: <0 3S > 30 04 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002267EE49170, 16 bytes long.
Data: < 3S > E0 02 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002267EE49800, 16 bytes long.
Data: < 3S > 10 04 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002267EE497B0, 16 bytes long.
Data: <p 3S > 70 04 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002267EE49350, 16 bytes long.
Data: < 1S > 18 C0 31 53 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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