Task 38697355
| Name | test_828-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND9915_1 |
| Workunit | 31637930 |
| Created | 1 Nov 2026, 13:11:12 UTC |
| Sent | 1 Nov 2026, 13:11:14 UTC |
| Report deadline | 6 Nov 2026, 13:11:14 UTC |
| Received | 1 Nov 2026, 16:23:15 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652001 |
| Run time | 1 hours 1 min 18 sec |
| CPU time | 55 min 10 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,987.27 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 696.67 MB |
| Peak swap size | 2.97 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:15:00 (34324): wrapper (7.9.26016): starting
08:15:00 (34324): 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
08:15:23 (34324): Library/usr/bin/tar.exe exited; CPU time 0.140625
08:15:23 (34324): 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\7\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\7\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835339} normal block at 0x0000029B4A8BF1A0, 8 bytes long.
Data: < J > 00 00 89 4A 9B 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x0000029B4C554B70, 1080 bytes long.
Data: <d > 64 87 00 00 CD CD CD CD F0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000029B4A8C1170, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
08:18:38 (31324): wrapper (7.9.26016): starting
08:18:38 (31324): 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\7\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1684} normal block at 0x00000255A8B85D80, 8 bytes long.
Data: < [ U > 00 00 5B AA 55 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000255A8B863A0, 1080 bytes long.
Data: <dN D > 64 4E 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
08:33:54 (32944): wrapper (7.9.26016): starting
08:33:54 (32944): 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\7\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1684} normal block at 0x00000143F6E85160, 8 bytes long.
Data: < L C > 00 00 4C F7 43 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000143F6E86400, 1080 bytes long.
Data: < } D > EC 7D 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
10:30:58 (32152): wrapper (7.9.26016): starting
10:30:58 (32152): 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\7\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
11:22:46 (32152): C:/Windows/system32/cmd.exe exited; CPU time 2830.734375
11:22:46 (32152): 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: 43178140 bytes.
Dumping objects ->
{1772} normal block at 0x000001FCFD434410, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1761} normal block at 0x000001FCFD434B10, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1750} normal block at 0x000001FCFD434720, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1739} normal block at 0x000001FCFD4349C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1728} normal block at 0x000001FCFD434640, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1697} normal block at 0x000001FCFD41F2A0, 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) : {1684} normal block at 0x000001FCFD435CA0, 8 bytes long.
Data: < > 00 00 86 FD FC 01 00 00
{306} normal block at 0x000001FCFD435570, 8 bytes long.
Data: < dC > 00 64 43 FD FC 01 00 00
{297} normal block at 0x000001FCFD426230, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001FCFD435890, 16 bytes long.
Data: < cC > 08 63 43 FD FC 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FCFD435340, 16 bytes long.
Data: < bC > E0 62 43 FD FC 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FCFD42F820, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001FCFD435840, 16 bytes long.
Data: < bC > B8 62 43 FD FC 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FCFD435930, 16 bytes long.
Data: < bC > 90 62 43 FD FC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001FCFD435750, 16 bytes long.
Data: <hbC > 68 62 43 FD FC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FCFD4352F0, 16 bytes long.
Data: <@bC > 40 62 43 FD FC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FCFD434480, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001FCFD435A70, 16 bytes long.
Data: <x B > 78 8E 42 FD FC 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FCFD42FC40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001FCFD435D40, 16 bytes long.
Data: <P B > 50 8E 42 FD FC 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FCFD435E30, 16 bytes long.
Data: <( B > 28 8E 42 FD FC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FCFD435C50, 16 bytes long.
Data: < B > 00 8E 42 FD FC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FCFD4352A0, 16 bytes long.
Data: < B > D8 8D 42 FD FC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FCFD435A20, 16 bytes long.
Data: < B > B0 8D 42 FD FC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FCFD4357F0, 16 bytes long.
Data: < B > 88 8D 42 FD FC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FCFD42F7C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001FCFD435660, 16 bytes long.
Data: <` B > 60 8D 42 FD FC 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FCFD428D60, 320 bytes long.
Data: <`VC B > 60 56 43 FD FC 01 00 00 C0 F7 42 FD FC 01 00 00
{276} normal block at 0x000001FCFD435D90, 16 bytes long.
Data: < bC > 20 62 43 FD FC 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FCFD435390, 16 bytes long.
Data: < aC > F8 61 43 FD FC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FCFD42F6A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001FCFD435610, 16 bytes long.
Data: < aC > D0 61 43 FD FC 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FCFD42F5E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001FCFD4357A0, 16 bytes long.
Data: < aC > 18 61 43 FD FC 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FCFD435520, 16 bytes long.
Data: < `C > F0 60 43 FD FC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FCFD435ED0, 16 bytes long.
Data: < `C > C8 60 43 FD FC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FCFD435200, 16 bytes long.
Data: < `C > A0 60 43 FD FC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FCFD4351B0, 16 bytes long.
Data: <x`C > 78 60 43 FD FC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FCFD4355C0, 16 bytes long.
Data: <P`C > 50 60 43 FD FC 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FCFD435160, 16 bytes long.
Data: < FC > B0 46 43 FD FC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FCFD4346B0, 40 bytes long.
Data: <`QC A > 60 51 43 FD FC 01 00 00 A0 F2 41 FD FC 01 00 00
{262} normal block at 0x000001FCFD435AC0, 16 bytes long.
Data: <0`C > 30 60 43 FD FC 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FCFD435110, 16 bytes long.
Data: < `C > 08 60 43 FD FC 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FCFD42FA60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001FCFD435250, 16 bytes long.
Data: < _C > E0 5F 43 FD FC 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001FCFD435FE0, 992 bytes long.
Data: <PRC ` B > 50 52 43 FD FC 01 00 00 60 FA 42 FD FC 01 00 00
{94} normal block at 0x000001FCFD42F8E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001FCFD42F020, 16 bytes long.
Data: <` A > 60 D2 41 FD FC 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001FCFD41D260, 40 bytes long.
Data: < B B > 20 F0 42 FD FC 01 00 00 E0 F8 42 FD FC 01 00 00
{71} normal block at 0x000001FCFD42ECB0, 16 bytes long.
Data: < d > 80 EA 64 0A F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001FCFD42E530, 16 bytes long.
Data: <@ d > 40 E9 64 0A F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FCFD42F160, 16 bytes long.
Data: < Wa > F8 57 61 0A F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FCFD42F110, 16 bytes long.
Data: < Wa > D8 57 61 0A F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FCFD42F070, 16 bytes long.
Data: <P a > 50 04 61 0A F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FCFD42F250, 16 bytes long.
Data: <0 a > 30 04 61 0A F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FCFD42ED00, 16 bytes long.
Data: < a > E0 02 61 0A F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FCFD42EE90, 16 bytes long.
Data: < a > 10 04 61 0A F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FCFD42E580, 16 bytes long.
Data: <p a > 70 04 61 0A F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FCFD42E490, 16 bytes long.
Data: < _ > 18 C0 5F 0A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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