Task 38654683
| Name | test_828-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND7550_1 |
| Workunit | 31597906 |
| Created | 24 Oct 2026, 7:43:56 UTC |
| Sent | 24 Oct 2026, 7:44:29 UTC |
| Report deadline | 29 Oct 2026, 7:44:29 UTC |
| Received | 24 Oct 2026, 8:09:24 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643341 |
| Run time | 20 min 29 sec |
| CPU time | 17 min 12 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 30,871.08 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 749.05 MB |
| Peak swap size | 9.95 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:49:28 (28260): wrapper (7.9.26016): starting
09:49:28 (28260): 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
09:49:29 (28260): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:49:29 (28260): 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\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 'D:\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
10:09:01 (28260): C:/Windows/system32/cmd.exe exited; CPU time 1032.187500
10:09:01 (28260): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 26961843 bytes.
Dumping objects ->
{3835203} normal block at 0x000001DD8BBE5B30, 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 0x000001DD8DDF5D30, 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 0x000001DD8DDF56D0, 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 0x000001DD8DDF5970, 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 0x000001DD8DDF53D0, 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 0x000001DD8BBE5F90, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
..\api\boinc_api.cpp(309) : {3835115} normal block at 0x000001DD8BBDCFD0, 8 bytes long.
Data: < ¬‹Ý > 00 00 AC 8B DD 01 00 00
{3833961} normal block at 0x000001DD8BBDCE40, 8 bytes long.
Data: < 5à Ý > 00 35 E0 8D DD 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001DD8BBD6360, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001DD8BBDF3D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001DD8BBE4560, 16 bytes long.
Data: <xY¾‹Ý > 78 59 BE 8B DD 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001DD8BBE4C40, 16 bytes long.
Data: <PY¾‹Ý > 50 59 BE 8B DD 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001DD8BBDFB10, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001DD8BBE4BF0, 16 bytes long.
Data: <(Y¾‹Ý > 28 59 BE 8B DD 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001DD8BBE4BA0, 16 bytes long.
Data: < Y¾‹Ý > 00 59 BE 8B DD 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001DD8BBE4B00, 16 bytes long.
Data: <ØX¾‹Ý > D8 58 BE 8B DD 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001DD8BBE4600, 16 bytes long.
Data: <°X¾‹Ý > B0 58 BE 8B DD 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001DD8BBE5C10, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001DD8BBE51E0, 16 bytes long.
Data: <8ð¼‹Ý > 38 F0 BC 8B DD 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001DD8BBDF930, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001DD8BBE5190, 16 bytes long.
Data: < ð¼‹Ý > 10 F0 BC 8B DD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001DD8BBE4AB0, 16 bytes long.
Data: <èï¼‹Ý > E8 EF BC 8B DD 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001DD8BBE50F0, 16 bytes long.
Data: <Àï¼‹Ý > C0 EF BC 8B DD 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001DD8BBE4F60, 16 bytes long.
Data: < ï¼‹Ý > 98 EF BC 8B DD 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001DD8BBE4380, 16 bytes long.
Data: <pï¼‹Ý > 70 EF BC 8B DD 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001DD8BBE4F10, 16 bytes long.
Data: <Hï¼‹Ý > 48 EF BC 8B DD 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001DD8BBE01D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001DD8BBE4A60, 16 bytes long.
Data: < ï¼‹Ý > 20 EF BC 8B DD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001DD8BBCEF20, 320 bytes long.
Data: <`J¾‹Ý Ð ¾‹Ý > 60 4A BE 8B DD 01 00 00 D0 01 BE 8B DD 01 00 00
{276} normal block at 0x000001DD8BBE4920, 16 bytes long.
Data: < X¾‹Ý > 90 58 BE 8B DD 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001DD8BBE43D0, 16 bytes long.
Data: <hX¾‹Ý > 68 58 BE 8B DD 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001DD8BBDFFF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001DD8BBE5050, 16 bytes long.
Data: <@X¾‹Ý > 40 58 BE 8B DD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001DD8BBE0530, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001DD8BBE4970, 16 bytes long.
Data: < W¾‹Ý > 88 57 BE 8B DD 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001DD8BBE48D0, 16 bytes long.
Data: <`W¾‹Ý > 60 57 BE 8B DD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DD8BBE4880, 16 bytes long.
Data: <8W¾‹Ý > 38 57 BE 8B DD 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001DD8BBE46A0, 16 bytes long.
Data: < W¾‹Ý > 10 57 BE 8B DD 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001DD8BBE45B0, 16 bytes long.
Data: <èV¾‹Ý > E8 56 BE 8B DD 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001DD8BBE4510, 16 bytes long.
Data: <ÀV¾‹Ý > C0 56 BE 8B DD 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001DD8BBE4830, 16 bytes long.
Data: <pã½‹Ý > 70 E3 BD 8B DD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001DD8BBDE370, 40 bytes long.
Data: <0H¾‹Ý _¾‹Ý > 30 48 BE 8B DD 01 00 00 90 5F BE 8B DD 01 00 00
{262} normal block at 0x000001DD8BBE4470, 16 bytes long.
Data: < V¾‹Ý > A0 56 BE 8B DD 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001DD8BBE50A0, 16 bytes long.
Data: <xV¾‹Ý > 78 56 BE 8B DD 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001DD8BBDFC90, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001DD8BBE4790, 16 bytes long.
Data: <PV¾‹Ý > 50 56 BE 8B DD 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001DD8BBE5650, 992 bytes long.
Data: < G¾‹Ý ü½‹Ý > 90 47 BE 8B DD 01 00 00 90 FC BD 8B DD 01 00 00
{94} normal block at 0x000001DD8BBE0110, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001DD8BBDCDF0, 16 bytes long.
Data: <Ðó¼‹Ý > D0 F3 BC 8B DD 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001DD8BBCF3D0, 40 bytes long.
Data: <ðͽ‹Ý ¾‹Ý > F0 CD BD 8B DD 01 00 00 10 01 BE 8B DD 01 00 00
{71} normal block at 0x000001DD8BBDD610, 16 bytes long.
Data: < êí½ö > 80 EA ED BD F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001DD8BBDD340, 16 bytes long.
Data: <@éí½ö > 40 E9 ED BD F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001DD8BBDD160, 16 bytes long.
Data: <øWê½ö > F8 57 EA BD F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001DD8BBDD110, 16 bytes long.
Data: <ØWê½ö > D8 57 EA BD F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001DD8BBDD020, 16 bytes long.
Data: <P ê½ö > 50 04 EA BD F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001DD8BBDD2F0, 16 bytes long.
Data: <0 ê½ö > 30 04 EA BD F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001DD8BBDC990, 16 bytes long.
Data: <à ê½ö > E0 02 EA BD F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001DD8BBDCD50, 16 bytes long.
Data: < ê½ö > 10 04 EA BD F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001DD8BBDCB20, 16 bytes long.
Data: <p ê½ö > 70 04 EA BD F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001DD8BBDCD00, 16 bytes long.
Data: < Àè½ö > 18 C0 E8 BD F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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