Task 38610156
| Name | p38_A03_A08_r0_3-QUICO_ATM_OpenFF_p38-1-6-RND0967_1 |
| Workunit | 31562818 |
| Created | 15 Apr 2026, 7:01:59 UTC |
| Sent | 15 Apr 2026, 7:02:07 UTC |
| Report deadline | 20 Apr 2026, 7:02:07 UTC |
| Received | 15 Apr 2026, 11:25:01 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 580417 |
| Run time | 4 hours 22 min 54 sec |
| CPU time | 4 hours 23 min 36 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 9,069.73 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 692.54 MB |
| Peak swap size | 6.76 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
03:03:10 (36732): wrapper (7.9.26016): starting
03:03:10 (36732): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A03_A08_0.pdb
QB_A03_A08_0.xml
QB_A03_A08.inpcrd
QB_A03_A08_input.yaml
QB_A03_A08.pdb
QB_A03_A08.prmtop
QB_A03_A08_sys.xml
run.bat
run.sh
03:03:11 (36732): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:03:11 (36732): 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\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 'C:\ProgramData\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
07:24:29 (36732): C:/Windows/system32/cmd.exe exited; CPU time 15816.234375
07:24:29 (36732): 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: 265136457 bytes.
Dumping objects ->
{3835463} normal block at 0x0000026357B76F70, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835452} normal block at 0x0000026357B76BF0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835441} normal block at 0x0000026357B76B80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835430} normal block at 0x0000026357B76DB0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835419} normal block at 0x0000026357B76CD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835388} normal block at 0x0000026359819130, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835377} normal block at 0x000002635982F500, 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) : {3835374} normal block at 0x0000026357B6DBB0, 8 bytes long.
Data: < VYc > 00 00 56 59 63 02 00 00
{3834652} normal block at 0x000002635982FA80, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x0000026357B6D8E0, 8 bytes long.
Data: <ðæ‚Yc > F0 E6 82 59 63 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000026357B60F40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000026357B62780, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000026357B76050, 16 bytes long.
Data: <Èi·Wc > C8 69 B7 57 63 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000026357B75C40, 16 bytes long.
Data: < i·Wc > A0 69 B7 57 63 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000026357B6FA10, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000026357B75600, 16 bytes long.
Data: <xi·Wc > 78 69 B7 57 63 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000026357B75BA0, 16 bytes long.
Data: <Pi·Wc > 50 69 B7 57 63 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000026357B75B50, 16 bytes long.
Data: <(i·Wc > 28 69 B7 57 63 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000026357B75470, 16 bytes long.
Data: < i·Wc > 00 69 B7 57 63 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000026357B770C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x0000026357B757E0, 16 bytes long.
Data: < ¶Wc > 88 0B B6 57 63 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000026357B6FF50, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x0000026357B75B00, 16 bytes long.
Data: <` ¶Wc > 60 0B B6 57 63 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026357B75D80, 16 bytes long.
Data: <8 ¶Wc > 38 0B B6 57 63 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026357B760F0, 16 bytes long.
Data: < ¶Wc > 10 0B B6 57 63 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000026357B75560, 16 bytes long.
Data: <è ¶Wc > E8 0A B6 57 63 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000026357B75A60, 16 bytes long.
Data: <À ¶Wc > C0 0A B6 57 63 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026357B75E70, 16 bytes long.
Data: < ¶Wc > 98 0A B6 57 63 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000026357B6FA70, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000026357B76140, 16 bytes long.
Data: <p ¶Wc > 70 0A B6 57 63 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000026357B60A70, 320 bytes long.
Data: <@a·Wc pú¶Wc > 40 61 B7 57 63 02 00 00 70 FA B6 57 63 02 00 00
{274} normal block at 0x0000026357B76230, 16 bytes long.
Data: <àh·Wc > E0 68 B7 57 63 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026357B759C0, 16 bytes long.
Data: <¸h·Wc > B8 68 B7 57 63 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000026357B6FE90, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x0000026357B75AB0, 16 bytes long.
Data: < h·Wc > 90 68 B7 57 63 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000026357B6FFB0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x0000026357B75920, 16 bytes long.
Data: <Øg·Wc > D8 67 B7 57 63 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000026357B761E0, 16 bytes long.
Data: <°g·Wc > B0 67 B7 57 63 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000026357B752E0, 16 bytes long.
Data: < g·Wc > 88 67 B7 57 63 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026357B75EC0, 16 bytes long.
Data: <`g·Wc > 60 67 B7 57 63 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000026357B75420, 16 bytes long.
Data: <8g·Wc > 38 67 B7 57 63 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000026357B76190, 16 bytes long.
Data: < g·Wc > 10 67 B7 57 63 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000026357B75D30, 16 bytes long.
Data: <°ÖµWc > B0 D6 B5 57 63 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000026357B5D6B0, 40 bytes long.
Data: <0]·Wc 0‘ Yc > 30 5D B7 57 63 02 00 00 30 91 81 59 63 02 00 00
{260} normal block at 0x0000026357B75BF0, 16 bytes long.
Data: <ðf·Wc > F0 66 B7 57 63 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000026357B756A0, 16 bytes long.
Data: <Èf·Wc > C8 66 B7 57 63 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000026357B707F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x0000026357B75510, 16 bytes long.
Data: < f·Wc > A0 66 B7 57 63 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000026357B766A0, 992 bytes long.
Data: < U·Wc ð ·Wc > 10 55 B7 57 63 02 00 00 F0 07 B7 57 63 02 00 00
{92} normal block at 0x0000026357B6FB90, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x0000026357B6DF70, 16 bytes long.
Data: <ÀʵWc > C0 CA B5 57 63 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000026357B5CAC0, 40 bytes long.
Data: <p߶Wc û¶Wc > 70 DF B6 57 63 02 00 00 90 FB B6 57 63 02 00 00
{69} normal block at 0x0000026357B6DE30, 16 bytes long.
Data: < êÏ`÷ > 80 EA CF 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000026357B6E0B0, 16 bytes long.
Data: <@éÏ`÷ > 40 E9 CF 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000026357B6D7A0, 16 bytes long.
Data: <øWÌ`÷ > F8 57 CC 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000026357B6DD90, 16 bytes long.
Data: <ØWÌ`÷ > D8 57 CC 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000026357B6E3D0, 16 bytes long.
Data: <P Ì`÷ > 50 04 CC 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000026357B6E2E0, 16 bytes long.
Data: <0 Ì`÷ > 30 04 CC 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000026357B6DAC0, 16 bytes long.
Data: <à Ì`÷ > E0 02 CC 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000026357B6DCA0, 16 bytes long.
Data: < Ì`÷ > 10 04 CC 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000026357B6E060, 16 bytes long.
Data: <p Ì`÷ > 70 04 CC 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000026357B6DB10, 16 bytes long.
Data: < ÀÊ`÷ > 18 C0 CA 60 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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