Task 38662094
| Name | test_572-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND8957_1 |
| Workunit | 31603814 |
| Created | 24 Oct 2026, 17:39:25 UTC |
| Sent | 24 Oct 2026, 17:39:29 UTC |
| Report deadline | 29 Oct 2026, 17:39:29 UTC |
| Received | 25 Oct 2026, 3:47:07 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643201 |
| Run time | 22 min 57 sec |
| CPU time | 22 min 57 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 23,192.10 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 731.48 MB |
| Peak swap size | 5.48 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
19:41:09 (10192): wrapper (7.9.26016): starting
19:41:09 (10192): 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
19:41:11 (10192): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:41:11 (10192): 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
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
20:07:26 (10192): C:/Windows/system32/cmd.exe exited; CPU time 1377.531250
20:07:26 (10192): 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: 32057411 bytes.
Dumping objects ->
{3835256} normal block at 0x000001EEBE807E40, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835245} normal block at 0x000001EEBCAF4730, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835234} normal block at 0x000001EEBCAF45E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835223} normal block at 0x000001EEBCAF4570, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835212} normal block at 0x000001EEBCAF4500, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835181} normal block at 0x000001EEBE81A800, 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) : {3835168} normal block at 0x000001EEBCAEFFE0, 8 bytes long.
Data: < ø¼î > 00 00 F8 BC EE 01 00 00
{3833957} normal block at 0x000001EEBCAEF950, 8 bytes long.
Data: <`E‡¾î > 60 45 87 BE EE 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001EEBCAE64E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001EEBCAE7260, 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 0x000001EEBCAF5990, 16 bytes long.
Data: < c¯¼î > 18 63 AF BC EE 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001EEBCAF5DA0, 16 bytes long.
Data: <ðb¯¼î > F0 62 AF BC EE 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001EEBCAF05C0, 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 0x000001EEBCAF5DF0, 16 bytes long.
Data: <Èb¯¼î > C8 62 AF BC EE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001EEBCAF53A0, 16 bytes long.
Data: < b¯¼î > A0 62 AF BC EE 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001EEBCAF5E40, 16 bytes long.
Data: <xb¯¼î > 78 62 AF BC EE 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001EEBCAF5C60, 16 bytes long.
Data: <Pb¯¼î > 50 62 AF BC EE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001EEBCAF4960, 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 0x000001EEBCAF5760, 16 bytes long.
Data: <hæ­¼î > 68 E6 AD BC EE 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001EEBCAF07A0, 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 0x000001EEBCAF5F80, 16 bytes long.
Data: <@æ­¼î > 40 E6 AD BC EE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001EEBCAF5C10, 16 bytes long.
Data: < æ­¼î > 18 E6 AD BC EE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001EEBCAF5B20, 16 bytes long.
Data: <ðå­¼î > F0 E5 AD BC EE 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001EEBCAF5080, 16 bytes long.
Data: <Èå­¼î > C8 E5 AD BC EE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001EEBCAF5670, 16 bytes long.
Data: < å­¼î > A0 E5 AD BC EE 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001EEBCAF5350, 16 bytes long.
Data: <xå­¼î > 78 E5 AD BC EE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001EEBCAF1340, 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 0x000001EEBCAF5620, 16 bytes long.
Data: <På­¼î > 50 E5 AD BC EE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001EEBCADE550, 320 bytes long.
Data: < V¯¼î @ ¯¼î > 20 56 AF BC EE 01 00 00 40 13 AF BC EE 01 00 00
{274} normal block at 0x000001EEBCAF5D50, 16 bytes long.
Data: <0b¯¼î > 30 62 AF BC EE 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001EEBCAF58A0, 16 bytes long.
Data: < b¯¼î > 08 62 AF BC EE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001EEBCAF0980, 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 0x000001EEBCAF5030, 16 bytes long.
Data: <àa¯¼î > E0 61 AF BC EE 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001EEBCAF0920, 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 0x000001EEBCAF5BC0, 16 bytes long.
Data: <(a¯¼î > 28 61 AF BC EE 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001EEBCAF5AD0, 16 bytes long.
Data: < a¯¼î > 00 61 AF BC EE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001EEBCAF5940, 16 bytes long.
Data: <Ø`¯¼î > D8 60 AF BC EE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001EEBCAF5D00, 16 bytes long.
Data: <°`¯¼î > B0 60 AF BC EE 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001EEBCAF5A80, 16 bytes long.
Data: < `¯¼î > 88 60 AF BC EE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001EEBCAF59E0, 16 bytes long.
Data: <``¯¼î > 60 60 AF BC EE 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001EEBCAF52B0, 16 bytes long.
Data: < H¯¼î > 10 48 AF BC EE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001EEBCAF4810, 40 bytes long.
Data: <°R¯¼î ¨ ¾î > B0 52 AF BC EE 01 00 00 00 A8 81 BE EE 01 00 00
{260} normal block at 0x000001EEBCAF50D0, 16 bytes long.
Data: <@`¯¼î > 40 60 AF BC EE 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001EEBCAF54E0, 16 bytes long.
Data: < `¯¼î > 18 60 AF BC EE 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001EEBCAF1160, 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 0x000001EEBCAF5300, 16 bytes long.
Data: <ð_¯¼î > F0 5F AF BC EE 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001EEBCAF5FF0, 992 bytes long.
Data: < S¯¼î ` ¯¼î > 00 53 AF BC EE 01 00 00 60 11 AF BC EE 01 00 00
{92} normal block at 0x000001EEBCAF0F80, 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 0x000001EEBCAEF860, 16 bytes long.
Data: < Ó­¼î > 00 D3 AD BC EE 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001EEBCADD300, 40 bytes long.
Data: <`ø®¼î ¯¼î > 60 F8 AE BC EE 01 00 00 80 0F AF BC EE 01 00 00
{69} normal block at 0x000001EEBCAEF770, 16 bytes long.
Data: < êvª÷ > 80 EA 76 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001EEBCAEF8B0, 16 bytes long.
Data: <@évª÷ > 40 E9 76 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001EEBCAF0300, 16 bytes long.
Data: <øWsª÷ > F8 57 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001EEBCAEFEA0, 16 bytes long.
Data: <ØWsª÷ > D8 57 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001EEBCAF0210, 16 bytes long.
Data: <P sª÷ > 50 04 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001EEBCAEFB30, 16 bytes long.
Data: <0 sª÷ > 30 04 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001EEBCAEF540, 16 bytes long.
Data: <à sª÷ > E0 02 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001EEBCAEF4F0, 16 bytes long.
Data: < sª÷ > 10 04 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001EEBCAEF680, 16 bytes long.
Data: <p sª÷ > 70 04 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001EEBCAEF590, 16 bytes long.
Data: < Àqª÷ > 18 C0 71 AA F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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