Task 38621523
| Name | HIF2A_2_A04_A40_r0_3-QUICO_ATM_GAFF2_NAGL_hif2a_2-4-6-RND8977_0 |
| Workunit | 31572392 |
| Created | 20 Apr 2026, 9:58:39 UTC |
| Sent | 20 Apr 2026, 9:58:53 UTC |
| Report deadline | 25 Apr 2026, 9:58:53 UTC |
| Received | 22 Apr 2026, 2:49:53 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649732 |
| Run time | 2 hours 58 min 59 sec |
| CPU time | 2 hours 58 min 59 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 54,075.75 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 424.27 MB |
| Peak swap size | 6.61 GB |
| Peak disk usage | 2.90 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
18:08:03 (22992): wrapper (7.9.26016): starting
18:08:03 (22992): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A40_0.pdb
QB_A04_A40_0.xml
QB_A04_A40.inpcrd
QB_A04_A40_input.yaml
QB_A04_A40.pdb
QB_A04_A40.prmtop
QB_A04_A40_sys.xml
run.bat
run.sh
18:08:04 (22992): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:08:04 (22992): 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\16\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\16\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) : {3835095} normal block at 0x00000222C7F85D80, 8 bytes long.
Data: < " > 00 00 F2 C7 22 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833944} normal block at 0x00000222C9CD7980, 1080 bytes long.
Data: <pb 0 > 70 62 00 00 CD CD CD CD 30 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000222C7F8F840, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:12:29 (23460): wrapper (7.9.26016): starting
18:12:29 (23460): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1448} normal block at 0x000002651A3F0F00, 8 bytes long.
Data: < e > 00 00 DE 1B 65 02 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x000002651A3F02B0, 1080 bytes long.
Data: < g H > 0C 67 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
18:19:32 (14392): wrapper (7.9.26016): starting
18:19:32 (14392): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1448} normal block at 0x000001F3ABC814D0, 8 bytes long.
Data: < > 00 00 C5 AB F3 01 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x000001F3ABC83680, 1080 bytes long.
Data: <l\ \ > 6C 5C 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00
Object dump complete.
18:24:37 (27124): wrapper (7.9.26016): starting
18:24:37 (27124): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1448} normal block at 0x000002114A520A00, 8 bytes long.
Data: < OJ > 00 00 4F 4A 11 02 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x000002114A5202B0, 1080 bytes long.
Data: <XO D > 58 4F 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
18:32:41 (17924): wrapper (7.9.26016): starting
18:32:41 (17924): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1448} normal block at 0x0000022132890EF0, 8 bytes long.
Data: < 2! > 00 00 82 32 21 02 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x00000221328900C0, 1080 bytes long.
Data: < O D > 94 4F 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
18:34:12 (29340): wrapper (7.9.26016): starting
18:34:12 (29340): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1448} normal block at 0x0000024909031220, 8 bytes long.
Data: < I > 00 00 FD 08 49 02 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x0000024909033100, 1080 bytes long.
Data: < j L > 9C 6A 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
19:41:03 (27952): wrapper (7.9.26016): starting
19:41:03 (27952): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1448} normal block at 0x00000231636510E0, 8 bytes long.
Data: < ac1 > 00 00 61 63 31 02 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x0000023163650210, 1080 bytes long.
Data: < X H > CC 58 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
19:50:26 (14632): wrapper (7.9.26016): starting
19:50:26 (14632): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
22:49:27 (14632): C:/Windows/system32/cmd.exe exited; CPU time 10738.718750
22:49:27 (14632): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 169149175 bytes.
Dumping objects ->
{1536} normal block at 0x000002291690A4E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1525} normal block at 0x000002291690A0F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1514} normal block at 0x000002291690A160, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1503} normal block at 0x000002291690A080, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1492} normal block at 0x000002291690A780, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1461} normal block at 0x00000229168F6240, 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) : {1448} normal block at 0x0000022916911860, 8 bytes long.
Data: < / ) > 00 00 2F 18 29 02 00 00
{298} normal block at 0x0000022916910C30, 8 bytes long.
Data: < ) > B0 02 91 16 29 02 00 00
{289} normal block at 0x00000229168F61B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x0000022916911590, 16 bytes long.
Data: < 0 ) > 08 30 91 16 29 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000022916910CD0, 16 bytes long.
Data: < / ) > E0 2F 91 16 29 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002291690C190, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x0000022916911450, 16 bytes long.
Data: < / ) > B8 2F 91 16 29 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000022916911400, 16 bytes long.
Data: < / ) > 90 2F 91 16 29 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000022916910FF0, 16 bytes long.
Data: <h/ ) > 68 2F 91 16 29 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000022916910AF0, 16 bytes long.
Data: <@/ ) > 40 2F 91 16 29 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002291690A5C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x00000229169117C0, 16 bytes long.
Data: <8 ) > 38 BA 8F 16 29 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002291690BD70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x0000022916910E60, 16 bytes long.
Data: < ) > 10 BA 8F 16 29 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000229169113B0, 16 bytes long.
Data: < ) > E8 B9 8F 16 29 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000022916910BE0, 16 bytes long.
Data: < ) > C0 B9 8F 16 29 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022916911130, 16 bytes long.
Data: < ) > 98 B9 8F 16 29 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000022916911720, 16 bytes long.
Data: <p ) > 70 B9 8F 16 29 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000022916910E10, 16 bytes long.
Data: <H ) > 48 B9 8F 16 29 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002291690C3D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x0000022916911630, 16 bytes long.
Data: < ) > 20 B9 8F 16 29 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000229168FB920, 320 bytes long.
Data: <0 ) ) > 30 16 91 16 29 02 00 00 D0 C3 90 16 29 02 00 00
{268} normal block at 0x0000022916910910, 16 bytes long.
Data: < / ) > 20 2F 91 16 29 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000022916911770, 16 bytes long.
Data: < . ) > F8 2E 91 16 29 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002291690C1F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x0000022916910B40, 16 bytes long.
Data: < . ) > D0 2E 91 16 29 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002291690C370, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x0000022916911310, 16 bytes long.
Data: < . ) > 18 2E 91 16 29 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000229169114F0, 16 bytes long.
Data: < - ) > F0 2D 91 16 29 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000229169116D0, 16 bytes long.
Data: < - ) > C8 2D 91 16 29 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000022916910B90, 16 bytes long.
Data: < - ) > A0 2D 91 16 29 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000022916911270, 16 bytes long.
Data: <x- ) > 78 2D 91 16 29 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000229169115E0, 16 bytes long.
Data: <P- ) > 50 2D 91 16 29 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000022916911180, 16 bytes long.
Data: <p ) > 70 A4 90 16 29 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002291690A470, 40 bytes long.
Data: < ) @b ) > 80 11 91 16 29 02 00 00 40 62 8F 16 29 02 00 00
{254} normal block at 0x00000229169110E0, 16 bytes long.
Data: <0- ) > 30 2D 91 16 29 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000022916911360, 16 bytes long.
Data: < - ) > 08 2D 91 16 29 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000002291690B830, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x0000022916911220, 16 bytes long.
Data: < , ) > E0 2C 91 16 29 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000022916912CE0, 992 bytes long.
Data: < ) 0 ) > 20 12 91 16 29 02 00 00 30 B8 90 16 29 02 00 00
{86} normal block at 0x000002291690C4F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x0000022916905B30, 16 bytes long.
Data: < ) > 00 A4 90 16 29 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000002291690A400, 40 bytes long.
Data: <0[ ) ) > 30 5B 90 16 29 02 00 00 F0 C4 90 16 29 02 00 00
{63} normal block at 0x0000022916905C70, 16 bytes long.
Data: < zn > 80 EA 7A 6E F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000022916905EF0, 16 bytes long.
Data: <@ zn > 40 E9 7A 6E F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000229169061C0, 16 bytes long.
Data: < Wwn > F8 57 77 6E F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000229169055E0, 16 bytes long.
Data: < Wwn > D8 57 77 6E F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000022916905360, 16 bytes long.
Data: <P wn > 50 04 77 6E F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000022916905630, 16 bytes long.
Data: <0 wn > 30 04 77 6E F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000022916905AE0, 16 bytes long.
Data: < wn > E0 02 77 6E F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000022916905590, 16 bytes long.
Data: < wn > 10 04 77 6E F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000022916905EA0, 16 bytes long.
Data: <p wn > 70 04 77 6E F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000022916905B80, 16 bytes long.
Data: < un > 18 C0 75 6E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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