Task 38621275
| Name | p38_2_A02_A10_r0_5-QUICO_ATM_OpenFF_NAGL_p38_2-5-6-RND2186_0 |
| Workunit | 31572163 |
| Created | 20 Apr 2026, 8:41:17 UTC |
| Sent | 20 Apr 2026, 8:41:23 UTC |
| Report deadline | 25 Apr 2026, 8:41:23 UTC |
| Received | 20 Apr 2026, 17:42:15 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 644191 |
| Run time | 6 hours 45 min 30 sec |
| CPU time | 6 hours 41 min 39 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 5,721.73 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 646.17 MB |
| Peak swap size | 3.70 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
12:57:26 (10620): wrapper (7.9.26016): starting
12:57:26 (10620): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A10_0.pdb
QB_A02_A10_0.xml
QB_A02_A10.inpcrd
QB_A02_A10_input.yaml
QB_A02_A10.pdb
QB_A02_A10.prmtop
QB_A02_A10_sys.xml
run.bat
run.sh
12:57:27 (10620): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:57:27 (10620): 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\2\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\2\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
19:41:58 (10620): C:/Windows/system32/cmd.exe exited; CPU time 24099.453125
19:41:58 (10620): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 321690289 bytes.
Dumping objects ->
{3835298} normal block at 0x00000266AF3C53E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835287} normal block at 0x00000266AF3C5290, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835276} normal block at 0x00000266AF3C5300, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835265} normal block at 0x00000266AF3C5920, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835254} normal block at 0x00000266AF3C5840, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835223} normal block at 0x00000266B0EE9AF0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835212} normal block at 0x00000266B0F448E0, 235 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) : {3835209} normal block at 0x00000266AF3BD990, 8 bytes long.
Data: < …¯f > 00 00 85 AF 66 02 00 00
{3834587} normal block at 0x00000266AF3C50A0, 235 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x00000266AF3BE390, 8 bytes long.
Data: < Û:¯f > 20 DB 3A AF 66 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000266AF3B1690, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000266AF3B27E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x00000266AF3C6420, 16 bytes long.
Data: < q<¯f > 18 71 3C AF 66 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000266AF3C6D80, 16 bytes long.
Data: <ðp<¯f > F0 70 3C AF 66 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000266AF3C05F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x00000266AF3C61F0, 16 bytes long.
Data: <Èp<¯f > C8 70 3C AF 66 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000266AF3C6C90, 16 bytes long.
Data: < p<¯f > A0 70 3C AF 66 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000266AF3C6BF0, 16 bytes long.
Data: <xp<¯f > 78 70 3C AF 66 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000266AF3C5ED0, 16 bytes long.
Data: <Pp<¯f > 50 70 3C AF 66 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000266AF3C54C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x00000266AF3C66A0, 16 bytes long.
Data: <x-;¯f > 78 2D 3B AF 66 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000266AF3C0290, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x00000266AF3C6290, 16 bytes long.
Data: <P-;¯f > 50 2D 3B AF 66 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000266AF3C6BA0, 16 bytes long.
Data: <(-;¯f > 28 2D 3B AF 66 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000266AF3C6B50, 16 bytes long.
Data: < -;¯f > 00 2D 3B AF 66 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000266AF3C6C40, 16 bytes long.
Data: <Ø,;¯f > D8 2C 3B AF 66 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000266AF3C6B00, 16 bytes long.
Data: <°,;¯f > B0 2C 3B AF 66 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000266AF3C6650, 16 bytes long.
Data: < ,;¯f > 88 2C 3B AF 66 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000266AF3BFCF0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x00000266AF3C6970, 16 bytes long.
Data: <`,;¯f > 60 2C 3B AF 66 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000266AF3B2C60, 320 bytes long.
Data: <pi<¯f ðü;¯f > 70 69 3C AF 66 02 00 00 F0 FC 3B AF 66 02 00 00
{275} normal block at 0x00000266AF3C6AB0, 16 bytes long.
Data: <0p<¯f > 30 70 3C AF 66 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000266AF3C5F20, 16 bytes long.
Data: < p<¯f > 08 70 3C AF 66 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000266AF3C06B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x00000266AF3C6A60, 16 bytes long.
Data: <ào<¯f > E0 6F 3C AF 66 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000266AF3C04D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x00000266AF3C6920, 16 bytes long.
Data: <(o<¯f > 28 6F 3C AF 66 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000266AF3C6560, 16 bytes long.
Data: < o<¯f > 00 6F 3C AF 66 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000266AF3C6010, 16 bytes long.
Data: <Øn<¯f > D8 6E 3C AF 66 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000266AF3C67E0, 16 bytes long.
Data: <°n<¯f > B0 6E 3C AF 66 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000266AF3C61A0, 16 bytes long.
Data: < n<¯f > 88 6E 3C AF 66 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000266AF3C6830, 16 bytes long.
Data: <`n<¯f > 60 6E 3C AF 66 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000266AF3C6CE0, 16 bytes long.
Data: < U<¯f > A0 55 3C AF 66 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000266AF3C55A0, 40 bytes long.
Data: <àl<¯f ðšî°f > E0 6C 3C AF 66 02 00 00 F0 9A EE B0 66 02 00 00
{261} normal block at 0x00000266AF3C62E0, 16 bytes long.
Data: <@n<¯f > 40 6E 3C AF 66 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000266AF3C6600, 16 bytes long.
Data: < n<¯f > 18 6E 3C AF 66 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000266AF3C0170, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x00000266AF3C5E30, 16 bytes long.
Data: <ðm<¯f > F0 6D 3C AF 66 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000266AF3C6DF0, 992 bytes long.
Data: <0^<¯f p <¯f > 30 5E 3C AF 66 02 00 00 70 01 3C AF 66 02 00 00
{93} normal block at 0x00000266AF3C0350, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x00000266AF3BDF30, 16 bytes long.
Data: < è:¯f > A0 E8 3A AF 66 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000266AF3AE8A0, 40 bytes long.
Data: <0ß;¯f P <¯f > 30 DF 3B AF 66 02 00 00 50 03 3C AF 66 02 00 00
{70} normal block at 0x00000266AF3BDB20, 16 bytes long.
Data: < ê©·÷ > 80 EA A9 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000266AF3BD800, 16 bytes long.
Data: <@é©·÷ > 40 E9 A9 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000266AF3BD940, 16 bytes long.
Data: <øW¦·÷ > F8 57 A6 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000266AF3BE340, 16 bytes long.
Data: <ØW¦·÷ > D8 57 A6 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000266AF3BDA80, 16 bytes long.
Data: <P ¦·÷ > 50 04 A6 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000266AF3BDC60, 16 bytes long.
Data: <0 ¦·÷ > 30 04 A6 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000266AF3BE250, 16 bytes long.
Data: <à ¦·÷ > E0 02 A6 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000266AF3BDF80, 16 bytes long.
Data: < ¦·÷ > 10 04 A6 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000266AF3BE070, 16 bytes long.
Data: <p ¦·÷ > 70 04 A6 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000266AF3BDD50, 16 bytes long.
Data: < À¤·÷ > 18 C0 A4 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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