Task 38687815
| Name | test_243-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND4623_0 |
| Workunit | 31629192 |
| Created | 28 Oct 2026, 9:56:57 UTC |
| Sent | 28 Oct 2026, 9:57:00 UTC |
| Report deadline | 2 Nov 2026, 9:57:00 UTC |
| Received | 28 Oct 2026, 11:52:38 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646098 |
| Run time | 43 min 18 sec |
| CPU time | 39 min 23 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 21,607.46 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 729.76 MB |
| Peak swap size | 8.47 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:10:04 (31976): wrapper (7.9.26016): starting
05:10:04 (31976): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
05:10:06 (31976): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:10:06 (31976): 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\19\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\19\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
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
05:51:56 (31976): C:/Windows/system32/cmd.exe exited; CPU time 2363.687500
05:51:56 (31976): 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: 59615929 bytes.
Dumping objects ->
{3835483} normal block at 0x000001F4B08ED0D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835472} normal block at 0x000001F4AEB24D60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835461} normal block at 0x000001F4AEB24E40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835450} normal block at 0x000001F4AEB24CF0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835439} normal block at 0x000001F4AEB24C80, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835408} normal block at 0x000001F4B0933E00, 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) : {3835395} normal block at 0x000001F4AEB20A40, 8 bytes long.
Data: < ¯ô > 00 00 04 AF F4 01 00 00
{3833957} normal block at 0x000001F4AEB21210, 8 bytes long.
Data: <°A²®ô > B0 41 B2 AE F4 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001F4AEB16240, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F4AEB17450, 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 0x000001F4AEB25A70, 16 bytes long.
Data: < g²®ô > 18 67 B2 AE F4 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F4AEB26150, 16 bytes long.
Data: <ðf²®ô > F0 66 B2 AE F4 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F4AEB201F0, 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 0x000001F4AEB26100, 16 bytes long.
Data: <Èf²®ô > C8 66 B2 AE F4 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F4AEB25DE0, 16 bytes long.
Data: < f²®ô > A0 66 B2 AE F4 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F4AEB25750, 16 bytes long.
Data: <xf²®ô > 78 66 B2 AE F4 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F4AEB26060, 16 bytes long.
Data: <Pf²®ô > 50 66 B2 AE F4 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F4AEB249E0, 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 0x000001F4AEB25D90, 16 bytes long.
Data: < ¹°®ô > 08 B9 B0 AE F4 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F4AEB206D0, 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 0x000001F4AEB25F70, 16 bytes long.
Data: <ะ®ô > E0 B8 B0 AE F4 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F4AEB25A20, 16 bytes long.
Data: <¸¸°®ô > B8 B8 B0 AE F4 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F4AEB254D0, 16 bytes long.
Data: < ¸°®ô > 90 B8 B0 AE F4 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F4AEB259D0, 16 bytes long.
Data: <h¸°®ô > 68 B8 B0 AE F4 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F4AEB26010, 16 bytes long.
Data: <@¸°®ô > 40 B8 B0 AE F4 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F4AEB25B10, 16 bytes long.
Data: < ¸°®ô > 18 B8 B0 AE F4 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F4AEB20190, 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 0x000001F4AEB25700, 16 bytes long.
Data: <ð·°®ô > F0 B7 B0 AE F4 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F4AEB0B7F0, 320 bytes long.
Data: < W²®ô ²®ô > 00 57 B2 AE F4 01 00 00 90 01 B2 AE F4 01 00 00
{274} normal block at 0x000001F4AEB261F0, 16 bytes long.
Data: <0f²®ô > 30 66 B2 AE F4 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F4AEB25FC0, 16 bytes long.
Data: < f²®ô > 08 66 B2 AE F4 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F4AEB1FCB0, 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 0x000001F4AEB256B0, 16 bytes long.
Data: <àe²®ô > E0 65 B2 AE F4 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F4AEB1FC50, 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 0x000001F4AEB25890, 16 bytes long.
Data: <(e²®ô > 28 65 B2 AE F4 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F4AEB25980, 16 bytes long.
Data: < e²®ô > 00 65 B2 AE F4 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F4AEB25ED0, 16 bytes long.
Data: <Ød²®ô > D8 64 B2 AE F4 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F4AEB26240, 16 bytes long.
Data: <°d²®ô > B0 64 B2 AE F4 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F4AEB25BB0, 16 bytes long.
Data: < d²®ô > 88 64 B2 AE F4 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F4AEB257F0, 16 bytes long.
Data: <`d²®ô > 60 64 B2 AE F4 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F4AEB25840, 16 bytes long.
Data: < I²®ô > 00 49 B2 AE F4 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F4AEB24900, 40 bytes long.
Data: <@X²®ô >“°ô > 40 58 B2 AE F4 01 00 00 00 3E 93 B0 F4 01 00 00
{260} normal block at 0x000001F4AEB25CF0, 16 bytes long.
Data: <@d²®ô > 40 64 B2 AE F4 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F4AEB25930, 16 bytes long.
Data: < d²®ô > 18 64 B2 AE F4 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F4AEB202B0, 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 0x000001F4AEB260B0, 16 bytes long.
Data: <ðc²®ô > F0 63 B2 AE F4 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001F4AEB263F0, 992 bytes long.
Data: <°`²®ô ° ²®ô > B0 60 B2 AE F4 01 00 00 B0 02 B2 AE F4 01 00 00
{92} normal block at 0x000001F4AEB1FB90, 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 0x000001F4AEB209F0, 16 bytes long.
Data: < è°®ô > 00 E8 B0 AE F4 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001F4AEB0E800, 40 bytes long.
Data: <ð ²®ô û±®ô > F0 09 B2 AE F4 01 00 00 90 FB B1 AE F4 01 00 00
{69} normal block at 0x000001F4AEB20AE0, 16 bytes long.
Data: < ê­`ö > 80 EA AD 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F4AEB20B30, 16 bytes long.
Data: <@é­`ö > 40 E9 AD 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F4AEB21490, 16 bytes long.
Data: <øWª`ö > F8 57 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F4AEB21350, 16 bytes long.
Data: <ØWª`ö > D8 57 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F4AEB20F40, 16 bytes long.
Data: <P ª`ö > 50 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F4AEB20EF0, 16 bytes long.
Data: <0 ª`ö > 30 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F4AEB21710, 16 bytes long.
Data: <à ª`ö > E0 02 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F4AEB20C70, 16 bytes long.
Data: < ª`ö > 10 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F4AEB20900, 16 bytes long.
Data: <p ª`ö > 70 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001F4AEB21300, 16 bytes long.
Data: < À¨`ö > 18 C0 A8 60 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra