Task 38619097
| Name | p38_2_A27_A25_r0_1-QUICO_ATM_GAFF2_NAGL_p38_2-1-6-RND2090_0 |
| Workunit | 31570500 |
| Created | 18 Apr 2026, 18:40:47 UTC |
| Sent | 18 Apr 2026, 18:40:49 UTC |
| Report deadline | 23 Apr 2026, 18:40:49 UTC |
| Received | 19 Apr 2026, 8:28:02 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630161 |
| Run time | 3 hours 29 min 18 sec |
| CPU time | 3 hours 29 min 18 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 44,755.99 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 719.36 MB |
| Peak swap size | 9.98 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
01:01:12 (11432): wrapper (7.9.26016): starting
01:01:12 (11432): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A25_0.pdb
QB_A27_A25_0.xml
QB_A27_A25.inpcrd
QB_A27_A25_input.yaml
QB_A27_A25.pdb
QB_A27_A25.prmtop
QB_A27_A25_sys.xml
run.bat
run.sh
01:01:14 (11432): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:01:14 (11432): 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\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 'D:\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
04:27:31 (11432): C:/Windows/system32/cmd.exe exited; CPU time 12558.031250
04:27:31 (11432): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 161162530 bytes.
Dumping objects ->
{3835203} normal block at 0x000001432E351560, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835192} normal block at 0x000001432E49A320, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835181} normal block at 0x000001432E4993C0, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835170} normal block at 0x000001432E49A920, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835159} normal block at 0x000001432E49A980, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{3835128} normal block at 0x000001432E350DF0, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835117} normal block at 0x000001432E461C40, 85 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) : {3835114} normal block at 0x000001432B94C1C0, 8 bytes long.
Data: < à+C > 00 00 E0 2B 43 01 00 00
{3834520} normal block at 0x000001432E461D80, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x000001432B94C7B0, 8 bytes long.
Data: < З+C > 90 D0 97 2B 43 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001432B9569D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001432B954F30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x000001432B958640, 16 bytes long.
Data: <H •+C > 48 8D 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001432B958320, 16 bytes long.
Data: < •+C > 20 8D 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001432B9537D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x000001432B957FB0, 16 bytes long.
Data: <øŒ•+C > F8 8C 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001432B957F60, 16 bytes long.
Data: <ÐŒ•+C > D0 8C 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001432B957AB0, 16 bytes long.
Data: <¨Œ•+C > A8 8C 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001432B957D30, 16 bytes long.
Data: < Υ+C > 80 8C 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001432B951E80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x000001432B958910, 16 bytes long.
Data: <(.•+C > 28 2E 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001432B953770, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x000001432B957F10, 16 bytes long.
Data: < .•+C > 00 2E 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001432B9583C0, 16 bytes long.
Data: <Ø-•+C > D8 2D 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001432B9581E0, 16 bytes long.
Data: <°-•+C > B0 2D 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001432B958190, 16 bytes long.
Data: < -•+C > 88 2D 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001432B957EC0, 16 bytes long.
Data: <`-•+C > 60 2D 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001432B957A60, 16 bytes long.
Data: <8-•+C > 38 2D 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001432B953590, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x000001432B957E70, 16 bytes long.
Data: < -•+C > 10 2D 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001432B952D10, 320 bytes long.
Data: <p~•+C 5•+C > 70 7E 95 2B 43 01 00 00 90 35 95 2B 43 01 00 00
{269} normal block at 0x000001432B9588C0, 16 bytes long.
Data: <`Υ+C > 60 8C 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001432B957E20, 16 bytes long.
Data: <8Υ+C > 38 8C 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001432B953A10, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x000001432B9580A0, 16 bytes long.
Data: < Υ+C > 10 8C 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001432B9533B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x000001432B9580F0, 16 bytes long.
Data: <X‹•+C > 58 8B 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001432B958820, 16 bytes long.
Data: <0‹•+C > 30 8B 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001432B958140, 16 bytes long.
Data: < ‹•+C > 08 8B 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001432B957BA0, 16 bytes long.
Data: <àŠ•+C > E0 8A 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001432B9585A0, 16 bytes long.
Data: <¸Š•+C > B8 8A 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001432B958000, 16 bytes long.
Data: < Š•+C > 90 8A 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001432B957BF0, 16 bytes long.
Data: <@ •+C > 40 19 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001432B951940, 40 bytes long.
Data: <ð{•+C ð 5.C > F0 7B 95 2B 43 01 00 00 F0 0D 35 2E 43 01 00 00
{255} normal block at 0x000001432B9582D0, 16 bytes long.
Data: <pŠ•+C > 70 8A 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001432B958870, 16 bytes long.
Data: <HŠ•+C > 48 8A 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001432B953650, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x000001432B9585F0, 16 bytes long.
Data: < Š•+C > 20 8A 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001432B958A20, 992 bytes long.
Data: <ð…•+C P6•+C > F0 85 95 2B 43 01 00 00 50 36 95 2B 43 01 00 00
{87} normal block at 0x000001432B9534D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x000001432B94C3F0, 16 bytes long.
Data: < •+C > 10 1E 95 2B 43 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000001432B951E10, 40 bytes long.
Data: <ðÔ+C Ð4•+C > F0 C3 94 2B 43 01 00 00 D0 34 95 2B 43 01 00 00
{64} normal block at 0x000001432B94C170, 16 bytes long.
Data: < ê³=ö > 80 EA B3 3D F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001432B94C3A0, 16 bytes long.
Data: <@é³=ö > 40 E9 B3 3D F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001432B94C120, 16 bytes long.
Data: <øW°=ö > F8 57 B0 3D F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001432B94C9E0, 16 bytes long.
Data: <ØW°=ö > D8 57 B0 3D F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001432B94C0D0, 16 bytes long.
Data: <P °=ö > 50 04 B0 3D F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001432B94C080, 16 bytes long.
Data: <0 °=ö > 30 04 B0 3D F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001432B94BF90, 16 bytes long.
Data: <à °=ö > E0 02 B0 3D F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001432B94BF40, 16 bytes long.
Data: < °=ö > 10 04 B0 3D F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001432B94C8F0, 16 bytes long.
Data: <p °=ö > 70 04 B0 3D F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001432B94BEF0, 16 bytes long.
Data: < À®=ö > 18 C0 AE 3D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra