Task 38619285
| Name | p38_2_A05_A24_r0_3-QUICO_ATM_GAFF2_NAGL_p38_2-2-6-RND5426_0 |
| Workunit | 31570665 |
| Created | 18 Apr 2026, 20:29:36 UTC |
| Sent | 18 Apr 2026, 20:29:38 UTC |
| Report deadline | 23 Apr 2026, 20:29:38 UTC |
| Received | 20 Apr 2026, 12:24:50 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 610949 |
| Run time | 10 hours 47 min 55 sec |
| CPU time | 5 hours 26 min 1 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 20,322.95 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 708.98 MB |
| Peak swap size | 9.91 GB |
| Peak disk usage | 3.07 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
16:36:51 (9020): wrapper (7.9.26016): starting
16:36:51 (9020): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A05_A24_0.pdb
QB_A05_A24_0.xml
QB_A05_A24.inpcrd
QB_A05_A24_input.yaml
QB_A05_A24.pdb
QB_A05_A24.prmtop
QB_A05_A24_sys.xml
run.bat
run.sh
16:36:52 (9020): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:36:52 (9020): 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\1\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\1\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
03:23:40 (9020): C:/Windows/system32/cmd.exe exited; CPU time 19561.187500
03:23:40 (9020): 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: 768021061 bytes.
Dumping objects ->
{3835367} normal block at 0x0000021DE04E21B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835356} normal block at 0x0000021DE04E1B90, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835345} normal block at 0x0000021DE04E1AB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835334} normal block at 0x0000021DDCAD9F20, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835323} normal block at 0x0000021DDCAD9EB0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835292} normal block at 0x0000021DE0535370, 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) : {3835279} normal block at 0x0000021DDCAD5E10, 8 bytes long.
Data: < Ü > 00 00 F3 DC 1D 02 00 00
{3834065} normal block at 0x0000021DDCAD6770, 8 bytes long.
Data: <PÌ­Ü > 50 CC AD DC 1D 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000021DDCAC15A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000021DDCAC2900, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x0000021DDCADC960, 16 bytes long.
Data: <H»­Ü > 48 BB AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000021DDCADC780, 16 bytes long.
Data: < »­Ü > 20 BB AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000021DDCAD3CB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x0000021DDCADBC90, 16 bytes long.
Data: < º­Ü > F8 BA AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000021DDCADCBE0, 16 bytes long.
Data: <к­Ü > D0 BA AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000021DDCADBD80, 16 bytes long.
Data: <¨º­Ü > A8 BA AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000021DDCADC8C0, 16 bytes long.
Data: < º­Ü > 80 BA AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000021DDCAD9B30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x0000021DDCADCA50, 16 bytes long.
Data: < ²­Ü > 88 B2 AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000021DDCAD3C50, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x0000021DDCADC230, 16 bytes long.
Data: <`²­Ü > 60 B2 AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000021DDCADC190, 16 bytes long.
Data: <8²­Ü > 38 B2 AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000021DDCADBEC0, 16 bytes long.
Data: < ²­Ü > 10 B2 AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000021DDCADC5F0, 16 bytes long.
Data: < ±­Ü > E8 B1 AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021DDCADBD30, 16 bytes long.
Data: <À±­Ü > C0 B1 AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021DDCADC7D0, 16 bytes long.
Data: < ±­Ü > 98 B1 AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000021DDCAD4970, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x0000021DDCADC500, 16 bytes long.
Data: <p±­Ü > 70 B1 AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000021DDCADB170, 320 bytes long.
Data: < Å­Ü pI­Ü > 00 C5 AD DC 1D 02 00 00 70 49 AD DC 1D 02 00 00
{278} normal block at 0x0000021DDCADC460, 16 bytes long.
Data: <`º­Ü > 60 BA AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000021DDCADC410, 16 bytes long.
Data: <8º­Ü > 38 BA AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021DDCAD4790, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x0000021DDCADBDD0, 16 bytes long.
Data: < º­Ü > 10 BA AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000021DDCAD4730, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x0000021DDCADC5A0, 16 bytes long.
Data: <X¹­Ü > 58 B9 AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000021DDCADBCE0, 16 bytes long.
Data: <0¹­Ü > 30 B9 AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021DDCADC0A0, 16 bytes long.
Data: < ¹­Ü > 08 B9 AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000021DDCAD6180, 16 bytes long.
Data: < ¸­Ü > E0 B8 AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021DDCAD6130, 16 bytes long.
Data: <¸¸­Ü > B8 B8 AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000021DDCAD68B0, 16 bytes long.
Data: < ¸­Ü > 90 B8 AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000021DDCAD6C20, 16 bytes long.
Data: <p ­Ü > 70 99 AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000021DDCAD9970, 40 bytes long.
Data: < l­Ü pSS > 20 6C AD DC 1D 02 00 00 70 53 53 E0 1D 02 00 00
{264} normal block at 0x0000021DDCAD6BD0, 16 bytes long.
Data: <p¸­Ü > 70 B8 AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000021DDCAD5EB0, 16 bytes long.
Data: <H¸­Ü > 48 B8 AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000021DDCAD48B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x0000021DDCAD6810, 16 bytes long.
Data: < ¸­Ü > 20 B8 AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000021DDCADB820, 992 bytes long.
Data: < h­Ü °H­Ü > 10 68 AD DC 1D 02 00 00 B0 48 AD DC 1D 02 00 00
{96} normal block at 0x0000021DDCAD4850, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x0000021DDCAD69F0, 16 bytes long.
Data: <@ ­Ü > 40 9E AD DC 1D 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000021DDCAD9E40, 40 bytes long.
Data: < i­Ü PH­Ü > F0 69 AD DC 1D 02 00 00 50 48 AD DC 1D 02 00 00
{71} normal block at 0x0000021DDCAD5FF0, 16 bytes long.
Data: < K` > 80 EA 4B 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000021DDCAD6CC0, 16 bytes long.
Data: <@ K` > 40 E9 4B 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000021DDCAD6400, 16 bytes long.
Data: < WH` > F8 57 48 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000021DDCAD6630, 16 bytes long.
Data: <ØWH` > D8 57 48 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000021DDCAD63B0, 16 bytes long.
Data: <P H` > 50 04 48 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000021DDCAD5F50, 16 bytes long.
Data: <0 H` > 30 04 48 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000021DDCAD6B80, 16 bytes long.
Data: < H` > E0 02 48 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000021DDCAD6220, 16 bytes long.
Data: < H` > 10 04 48 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000021DDCAD65E0, 16 bytes long.
Data: <p H` > 70 04 48 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000021DDCAD6680, 16 bytes long.
Data: < ÀF` > 18 C0 46 60 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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