Task 38623583
| Name | p38_A27_A20_r0_4-QUICO_ATM_OpenFF_p38-3-6-RND2932_0 |
| Workunit | 31574171 |
| Created | 21 Apr 2026, 16:55:13 UTC |
| Sent | 21 Apr 2026, 16:55:17 UTC |
| Report deadline | 26 Apr 2026, 16:55:17 UTC |
| Received | 21 Apr 2026, 19:42:16 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 629577 |
| Run time | 2 hours 46 min 18 sec |
| CPU time | 2 hours 38 min 8 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 53,463.85 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 663.60 MB |
| Peak swap size | 10.01 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
12:56:26 (63504): wrapper (7.9.26016): starting
12:56:26 (63504): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A20_0.pdb
QB_A27_A20_0.xml
QB_A27_A20.inpcrd
QB_A27_A20_input.yaml
QB_A27_A20.pdb
QB_A27_A20.prmtop
QB_A27_A20_sys.xml
run.bat
run.sh
12:56:28 (63504): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:56:28 (63504): 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
15:41:47 (63504): C:/Windows/system32/cmd.exe exited; CPU time 9488.953125
15:41:47 (63504): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 219491827 bytes.
Dumping objects ->
{3835547} normal block at 0x00000286CCB38DC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835536} normal block at 0x00000286CCB394C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835525} normal block at 0x00000286CCB39370, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835514} normal block at 0x00000286CCB391B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835503} normal block at 0x00000286CCB390D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835472} normal block at 0x00000286CE81B620, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835461} normal block at 0x00000286CE833180, 102 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) : {3835458} normal block at 0x00000286CCB2FA50, 8 bytes long.
Data: < ¬Ì† > 00 00 AC CC 86 02 00 00
{3834685} normal block at 0x00000286CE8334F0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x00000286CCB2F410, 8 bytes long.
Data: <ÀԵ̆ > C0 D4 B5 CC 86 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000286CCB22080, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000286CCB237A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x00000286CCB39760, 16 bytes long.
Data: <hª³Ì† > 68 AA B3 CC 86 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000286CCB39D50, 16 bytes long.
Data: <@ª³Ì† > 40 AA B3 CC 86 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000286CCB32810, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x00000286CCB39D00, 16 bytes long.
Data: < ª³Ì† > 18 AA B3 CC 86 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000286CCB39C10, 16 bytes long.
Data: <ð©³Ì† > F0 A9 B3 CC 86 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000286CCB3A4D0, 16 bytes long.
Data: <È©³Ì† > C8 A9 B3 CC 86 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000286CCB3A110, 16 bytes long.
Data: < ©³Ì† > A0 A9 B3 CC 86 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000286CCB38FF0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x00000286CCB3A0C0, 16 bytes long.
Data: < ;²Ì† > 88 3B B2 CC 86 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000286CCB32270, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x00000286CCB39DA0, 16 bytes long.
Data: <`;²Ì† > 60 3B B2 CC 86 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000286CCB3A070, 16 bytes long.
Data: <8;²Ì† > 38 3B B2 CC 86 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000286CCB3A020, 16 bytes long.
Data: < ;²Ì† > 10 3B B2 CC 86 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000286CCB39990, 16 bytes long.
Data: <è:²Ì† > E8 3A B2 CC 86 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000286CCB3A2F0, 16 bytes long.
Data: <À:²Ì† > C0 3A B2 CC 86 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000286CCB39E90, 16 bytes long.
Data: < :²Ì† > 98 3A B2 CC 86 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000286CCB324B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x00000286CCB39FD0, 16 bytes long.
Data: <p:²Ì† > 70 3A B2 CC 86 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000286CCB23A70, 320 bytes long.
Data: <П³Ì† °$³Ì† > D0 9F B3 CC 86 02 00 00 B0 24 B3 CC 86 02 00 00
{277} normal block at 0x00000286CCB39BC0, 16 bytes long.
Data: < ©³Ì† > 80 A9 B3 CC 86 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000286CCB398F0, 16 bytes long.
Data: <X©³Ì† > 58 A9 B3 CC 86 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000286CCB32570, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x00000286CCB396C0, 16 bytes long.
Data: <0©³Ì† > 30 A9 B3 CC 86 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000286CCB32390, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x00000286CCB39DF0, 16 bytes long.
Data: <x¨³Ì† > 78 A8 B3 CC 86 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000286CCB39E40, 16 bytes long.
Data: <P¨³Ì† > 50 A8 B3 CC 86 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000286CCB3A3E0, 16 bytes long.
Data: <(¨³Ì† > 28 A8 B3 CC 86 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000286CCB39F80, 16 bytes long.
Data: < ¨³Ì† > 00 A8 B3 CC 86 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000286CCB3A480, 16 bytes long.
Data: <ا³Ì† > D8 A7 B3 CC 86 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000286CCB39CB0, 16 bytes long.
Data: <°§³Ì† > B0 A7 B3 CC 86 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000286CCB39C60, 16 bytes long.
Data: <0Ž³Ì† > 30 8E B3 CC 86 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000286CCB38E30, 40 bytes long.
Data: <`œ³Ì† ¶ Ά > 60 9C B3 CC 86 02 00 00 20 B6 81 CE 86 02 00 00
{263} normal block at 0x00000286CCB3A2A0, 16 bytes long.
Data: < §³Ì† > 90 A7 B3 CC 86 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000286CCB3A430, 16 bytes long.
Data: <h§³Ì† > 68 A7 B3 CC 86 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000286CCB32150, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x00000286CCB3A250, 16 bytes long.
Data: <@§³Ì† > 40 A7 B3 CC 86 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000286CCB3A740, 992 bytes long.
Data: <P¢³Ì† P!³Ì† > 50 A2 B3 CC 86 02 00 00 50 21 B3 CC 86 02 00 00
{95} normal block at 0x00000286CCB31BB0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x00000286CCB2FB90, 16 bytes long.
Data: < ۱̆ > 80 DB B1 CC 86 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x00000286CCB1DB80, 40 bytes long.
Data: < û²Ì† ° ³Ì† > 90 FB B2 CC 86 02 00 00 B0 1B B3 CC 86 02 00 00
{72} normal block at 0x00000286CCB30090, 16 bytes long.
Data: < ê2yö > 80 EA 32 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000286CCB2F7D0, 16 bytes long.
Data: <@é2yö > 40 E9 32 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000286CCB2FD70, 16 bytes long.
Data: <øW/yö > F8 57 2F 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000286CCB2F6E0, 16 bytes long.
Data: <ØW/yö > D8 57 2F 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000286CCB2F640, 16 bytes long.
Data: <P /yö > 50 04 2F 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000286CCB2FF00, 16 bytes long.
Data: <0 /yö > 30 04 2F 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000286CCB2FCD0, 16 bytes long.
Data: <à /yö > E0 02 2F 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000286CCB2F370, 16 bytes long.
Data: < /yö > 10 04 2F 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000286CCB2FAA0, 16 bytes long.
Data: <p /yö > 70 04 2F 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000286CCB2F5A0, 16 bytes long.
Data: < À-yö > 18 C0 2D 79 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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