Task 38621742

Name	HIF2A_2_A09_A10_r0_5-QUICO_ATM_GAFF2_NAGL_hif2a_2-4-6-RND5197_0
Workunit	31572600
Created	20 Apr 2026, 11:11:55 UTC
Sent	20 Apr 2026, 11:12:06 UTC
Report deadline	25 Apr 2026, 11:12:06 UTC
Received	20 Apr 2026, 13:38:15 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	609955
Run time	2 hours 23 min 57 sec
CPU time	2 hours 13 min 40 sec
Validate state	Valid
Credit	750,000.00
Device peak FLOPS	22,593.40 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	495.98 MB
Peak swap size	9.53 GB
Peak disk usage	4.01 GB
Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
20:16:43 (28428): wrapper (7.9.26016): starting
20:16:43 (28428): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A09_A10_0.pdb
QB_A09_A10_0.xml
QB_A09_A10.inpcrd
QB_A09_A10_input.yaml
QB_A09_A10.pdb
QB_A09_A10.prmtop
QB_A09_A10_sys.xml
run.bat
run.sh
20:16:44 (28428): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:16:44 (28428): 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 'D:\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 'D:\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.
tar: run.log: file changed as we read it
22:36:25 (28428): C:/Windows/system32/cmd.exe exited; CPU time 8020.640625
22:36:25 (28428): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 bytes in 8 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: 132293493 bytes.
Dumping objects ->
{3835582} normal block at 0x0000026F18535790, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835571} normal block at 0x0000026F1A5804A0, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835560} normal block at 0x0000026F1A57FAE0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835549} normal block at 0x0000026F1A57FD20, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835538} normal block at 0x0000026F1A580E60, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835507} normal block at 0x0000026F185359C0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835496} normal block at 0x0000026F1859A850, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835493} normal block at 0x0000026F1852E9E0, 8 bytes long.
 Data: <    o   > 00 00 8F 18 6F 02 00 00 
{3834771} normal block at 0x0000026F1859AED0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834073} normal block at 0x0000026F1852E530, 8 bytes long.
 Data: <&#176; Q o   > B0 E0 51 18 6F 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000026F18521540, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000026F18522DE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000026F18536880, 16 bytes long.
 Data: < vS o           > 18 76 53 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000026F18536F10, 16 bytes long.
 Data: < uS o           > F0 75 53 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000026F1852FF00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000026F185364C0, 16 bytes long.
 Data: <&#200;uS o           > C8 75 53 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026F185369C0, 16 bytes long.
 Data: < uS o           > A0 75 53 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026F185367E0, 16 bytes long.
 Data: <xuS o           > 78 75 53 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026F18536790, 16 bytes long.
 Data: <PuS o           > 50 75 53 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026F18535BF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000026F18536420, 16 bytes long.
 Data: <( R o           > 28 1F 52 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026F18530800, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000026F18536BF0, 16 bytes long.
 Data: <  R o           > 00 1F 52 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026F18536E70, 16 bytes long.
 Data: <&#216; R o           > D8 1E 52 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026F18536380, 16 bytes long.
 Data: <&#176; R o           > B0 1E 52 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026F18536650, 16 bytes long.
 Data: <  R o           > 88 1E 52 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026F185368D0, 16 bytes long.
 Data: <` R o           > 60 1E 52 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026F18536920, 16 bytes long.
 Data: <8 R o           > 38 1E 52 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026F18530B60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000026F185363D0, 16 bytes long.
 Data: <  R o           > 10 1E 52 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026F18521E10, 320 bytes long.
 Data: <&#208;cS o   ` S o   > D0 63 53 18 6F 02 00 00 60 0B 53 18 6F 02 00 00 
{280} normal block at 0x0000026F185366F0, 16 bytes long.
 Data: <0uS o           > 30 75 53 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026F185371E0, 16 bytes long.
 Data: < uS o           > 08 75 53 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026F18530C20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000026F185365B0, 16 bytes long.
 Data: < tS o           > E0 74 53 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026F185303E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000026F18536BA0, 16 bytes long.
 Data: <(tS o           > 28 74 53 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026F18536470, 16 bytes long.
 Data: < tS o           > 00 74 53 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026F18537190, 16 bytes long.
 Data: <&#216;sS o           > D8 73 53 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026F18536330, 16 bytes long.
 Data: <&#176;sS o           > B0 73 53 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026F18536E20, 16 bytes long.
 Data: < sS o           > 88 73 53 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026F18536D30, 16 bytes long.
 Data: <`sS o           > 60 73 53 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026F18536B50, 16 bytes long.
 Data: < WS o           > 20 57 53 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026F18535720, 40 bytes long.
 Data: <PkS o   &#192;YS o   > 50 6B 53 18 6F 02 00 00 C0 59 53 18 6F 02 00 00 
{266} normal block at 0x0000026F185366A0, 16 bytes long.
 Data: <@sS o           > 40 73 53 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026F18536560, 16 bytes long.
 Data: < sS o           > 18 73 53 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026F18530A40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000026F18536B00, 16 bytes long.
 Data: < rS o           > F0 72 53 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026F185372F0, 992 bytes long.
 Data: < kS o   @ S o   > 00 6B 53 18 6F 02 00 00 40 0A 53 18 6F 02 00 00 
{98} normal block at 0x0000026F18530B00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000026F1852E490, 16 bytes long.
 Data: < &#220;Q o           > 10 DC 51 18 6F 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000026F1851DC10, 40 bytes long.
 Data: <  R o     S o   > 90 E4 52 18 6F 02 00 00 00 0B 53 18 6F 02 00 00 
{73} normal block at 0x0000026F1852E850, 16 bytes long.
 Data: <                > 80 EA 1E 1A F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000026F1852E580, 16 bytes long.
 Data: <@               > 40 E9 1E 1A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000026F1852DDB0, 16 bytes long.
 Data: < W              > F8 57 1B 1A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000026F1852DE50, 16 bytes long.
 Data: <&#216;W              > D8 57 1B 1A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000026F1852DB30, 16 bytes long.
 Data: <P               > 50 04 1B 1A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026F1852E350, 16 bytes long.
 Data: <0               > 30 04 1B 1A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026F1852E710, 16 bytes long.
 Data: <                > E0 02 1B 1A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026F1852E7B0, 16 bytes long.
 Data: <                > 10 04 1B 1A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026F1852E760, 16 bytes long.
 Data: <p               > 70 04 1B 1A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026F1852DE00, 16 bytes long.
 Data: < &#192;              > 18 C0 19 1A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>