Task 38673891
| Name | test_714-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND9710_0 |
| Workunit | 31615948 |
| Created | 26 Oct 2026, 3:43:09 UTC |
| Sent | 26 Oct 2026, 3:43:12 UTC |
| Report deadline | 31 Oct 2026, 3:43:12 UTC |
| Received | 26 Oct 2026, 5:42:21 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 628087 |
| Run time | 1 hours 52 min 45 sec |
| CPU time | 1 hours 52 min 45 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,809.69 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 774.86 MB |
| Peak swap size | 12.94 GB |
| Peak disk usage | 3.72 GB |
Stderr output
<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
11:44:57 (2660): wrapper (7.9.26016): starting
11:44:57 (2660): 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
11:44:59 (2660): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:44:59 (2660): 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:\BOINCPROJECT\slots\9\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:\BOINCPROJECT\slots\9\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
13:39:47 (2660): C:/Windows/system32/cmd.exe exited; CPU time 6765.406250
13:39:47 (2660): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 282571081 bytes.
Dumping objects ->
{3835648} normal block at 0x00000258519BBC00, 48 bytes long.
Data: <PATH=D:\BOINCPRO> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 50 52 4F
{3835637} normal block at 0x00000258519B1E10, 32 bytes long.
Data: <HOME=D:\BOINCPRO> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 50 52 4F
{3835626} normal block at 0x00000258519B1B70, 32 bytes long.
Data: <TMP=D:\BOINCPROJ> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 50 52 4F 4A
{3835615} normal block at 0x00000258519B2470, 32 bytes long.
Data: <TEMP=D:\BOINCPRO> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 50 52 4F
{3835604} normal block at 0x00000258519B1C90, 32 bytes long.
Data: <TMPDIR=D:\BOINCP> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 50
{3835573} normal block at 0x00000258519BB5E0, 48 bytes long.
Data: <PATH=D:\BOINCPRO> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 50 52 4F
..\api\boinc_api.cpp(309) : {3835560} normal block at 0x000002584F76EBD0, 8 bytes long.
Data: < OX > 00 00 D7 4F 58 02 00 00
{3834065} normal block at 0x000002584F76EEF0, 8 bytes long.
Data: <` OX > 60 EB 84 4F 58 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002584F76FF50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002584F767DD0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000002584F777590, 16 bytes long.
Data: <XswOX > 58 73 77 4F 58 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002584F777A40, 16 bytes long.
Data: <0swOX > 30 73 77 4F 58 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002584F7719C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000002584F7779F0, 16 bytes long.
Data: < swOX > 08 73 77 4F 58 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002584F7779A0, 16 bytes long.
Data: < rwOX > E0 72 77 4F 58 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002584F777BD0, 16 bytes long.
Data: < rwOX > B8 72 77 4F 58 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002584F777CC0, 16 bytes long.
Data: < rwOX > 90 72 77 4F 58 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002584F775770, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000002584F778120, 16 bytes long.
Data: < uOX > D8 C2 75 4F 58 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002584F772680, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000002584F7783F0, 16 bytes long.
Data: < uOX > B0 C2 75 4F 58 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002584F778350, 16 bytes long.
Data: < uOX > 88 C2 75 4F 58 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002584F7782B0, 16 bytes long.
Data: <` uOX > 60 C2 75 4F 58 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002584F777810, 16 bytes long.
Data: <8 uOX > 38 C2 75 4F 58 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002584F7783A0, 16 bytes long.
Data: < uOX > 10 C2 75 4F 58 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002584F777900, 16 bytes long.
Data: < uOX > E8 C1 75 4F 58 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002584F771900, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000002584F7777C0, 16 bytes long.
Data: < uOX > C0 C1 75 4F 58 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002584F75C1C0, 320 bytes long.
Data: < wwOX wOX > C0 77 77 4F 58 02 00 00 00 19 77 4F 58 02 00 00
{278} normal block at 0x000002584F778300, 16 bytes long.
Data: <prwOX > 70 72 77 4F 58 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002584F777E00, 16 bytes long.
Data: <HrwOX > 48 72 77 4F 58 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002584F771CC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000002584F778210, 16 bytes long.
Data: < rwOX > 20 72 77 4F 58 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002584F771DE0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000002584F777680, 16 bytes long.
Data: <hqwOX > 68 71 77 4F 58 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002584F7774F0, 16 bytes long.
Data: <@qwOX > 40 71 77 4F 58 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002584F7781C0, 16 bytes long.
Data: < qwOX > 18 71 77 4F 58 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002584F777F40, 16 bytes long.
Data: < pwOX > F0 70 77 4F 58 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002584F778260, 16 bytes long.
Data: < pwOX > C8 70 77 4F 58 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002584F76EB30, 16 bytes long.
Data: < pwOX > A0 70 77 4F 58 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002584F76EAE0, 16 bytes long.
Data: <`TwOX > 60 54 77 4F 58 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002584F775460, 40 bytes long.
Data: < vOX QX > E0 EA 76 4F 58 02 00 00 E0 B5 9B 51 58 02 00 00
{264} normal block at 0x000002584F76EA90, 16 bytes long.
Data: < pwOX > 80 70 77 4F 58 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002584F76EA40, 16 bytes long.
Data: <XpwOX > 58 70 77 4F 58 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002584F772560, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000002584F76E720, 16 bytes long.
Data: <0pwOX > 30 70 77 4F 58 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002584F777030, 992 bytes long.
Data: < vOX `%wOX > 20 E7 76 4F 58 02 00 00 60 25 77 4F 58 02 00 00
{96} normal block at 0x000002584F771A20, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000002584F76F120, 16 bytes long.
Data: < SwOX > 10 53 77 4F 58 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000002584F775310, 40 bytes long.
Data: < vOX wOX > 20 F1 76 4F 58 02 00 00 20 1A 77 4F 58 02 00 00
{71} normal block at 0x000002584F76EB80, 16 bytes long.
Data: < nl > 80 EA 6E 6C F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002584F76ECC0, 16 bytes long.
Data: <@ nl > 40 E9 6E 6C F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002584F76E630, 16 bytes long.
Data: < Wkl > F8 57 6B 6C F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002584F76F1C0, 16 bytes long.
Data: < Wkl > D8 57 6B 6C F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002584F76F350, 16 bytes long.
Data: <P kl > 50 04 6B 6C F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002584F76ED60, 16 bytes long.
Data: <0 kl > 30 04 6B 6C F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002584F76EF90, 16 bytes long.
Data: < kl > E0 02 6B 6C F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002584F76E5E0, 16 bytes long.
Data: < kl > 10 04 6B 6C F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002584F76ED10, 16 bytes long.
Data: <p kl > 70 04 6B 6C F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002584F76F170, 16 bytes long.
Data: < il > 18 C0 69 6C F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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