Task 38699484
| Name | test_407-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND4434_0 |
| Workunit | 31639882 |
| Created | 4 Nov 2026, 11:16:36 UTC |
| Sent | 4 Nov 2026, 11:16:42 UTC |
| Report deadline | 9 Nov 2026, 11:16:42 UTC |
| Received | 4 Nov 2026, 12:11:16 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 609605 |
| Run time | 53 min 21 sec |
| CPU time | 51 min 44 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 8,682.02 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 720.81 MB |
| Peak swap size | 5.35 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
05:17:55 (33152): wrapper (7.9.26016): starting
05:17:55 (33152): 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
05:17:56 (33152): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:17:56 (33152): 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
06:10:55 (33152): C:/Windows/system32/cmd.exe exited; CPU time 3104.781250
06:10:55 (33152): 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: 67496967 bytes.
Dumping objects ->
{3835562} normal block at 0x0000016B82AF5070, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835551} normal block at 0x0000016B84802760, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835540} normal block at 0x0000016B84802E20, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835529} normal block at 0x0000016B84802820, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835518} normal block at 0x0000016B84802040, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{3835487} normal block at 0x0000016B82AF5770, 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) : {3835474} normal block at 0x0000016B82AED9F0, 8 bytes long.
Data: < î‚k > 00 00 EE 82 6B 01 00 00
{3833963} normal block at 0x0000016B82AEE670, 8 bytes long.
Data: < K¯‚k > 90 4B AF 82 6B 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000016B82AF23D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000016B82AE6770, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x0000016B82AF6790, 16 bytes long.
Data: < q¯‚k > 18 71 AF 82 6B 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000016B82AF6010, 16 bytes long.
Data: <ðp¯‚k > F0 70 AF 82 6B 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000016B82AF00A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x0000016B82AF6C90, 16 bytes long.
Data: <Èp¯‚k > C8 70 AF 82 6B 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000016B82AF5E80, 16 bytes long.
Data: < p¯‚k > A0 70 AF 82 6B 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000016B82AF63D0, 16 bytes long.
Data: <xp¯‚k > 78 70 AF 82 6B 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000016B82AF5F70, 16 bytes long.
Data: <Pp¯‚k > 50 70 AF 82 6B 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000016B82AF5460, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000016B82AF6740, 16 bytes long.
Data: <Øø­‚k > D8 F8 AD 82 6B 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000016B82AF0040, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000016B82AF6290, 16 bytes long.
Data: <°ø­‚k > B0 F8 AD 82 6B 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000016B82AF5F20, 16 bytes long.
Data: < ø­‚k > 88 F8 AD 82 6B 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000016B82AF6D80, 16 bytes long.
Data: <`ø­‚k > 60 F8 AD 82 6B 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000016B82AF6380, 16 bytes long.
Data: <8ø­‚k > 38 F8 AD 82 6B 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000016B82AF60B0, 16 bytes long.
Data: < ø­‚k > 10 F8 AD 82 6B 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000016B82AF65B0, 16 bytes long.
Data: <è÷­‚k > E8 F7 AD 82 6B 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000016B82AEFCE0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x0000016B82AF6330, 16 bytes long.
Data: <À÷­‚k > C0 F7 AD 82 6B 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000016B82ADF7C0, 320 bytes long.
Data: <0c¯‚k àü®‚k > 30 63 AF 82 6B 01 00 00 E0 FC AE 82 6B 01 00 00
{277} normal block at 0x0000016B82AF69C0, 16 bytes long.
Data: <0p¯‚k > 30 70 AF 82 6B 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000016B82AF6B00, 16 bytes long.
Data: < p¯‚k > 08 70 AF 82 6B 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000016B82AF02E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x0000016B82AF6AB0, 16 bytes long.
Data: <ào¯‚k > E0 6F AF 82 6B 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000016B82AEFC80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000016B82AF5ED0, 16 bytes long.
Data: <(o¯‚k > 28 6F AF 82 6B 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000016B82AF6A10, 16 bytes long.
Data: < o¯‚k > 00 6F AF 82 6B 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000016B82AF5E30, 16 bytes long.
Data: <Øn¯‚k > D8 6E AF 82 6B 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000016B82AF62E0, 16 bytes long.
Data: <°n¯‚k > B0 6E AF 82 6B 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000016B82AF67E0, 16 bytes long.
Data: < n¯‚k > 88 6E AF 82 6B 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000016B82AF5FC0, 16 bytes long.
Data: <`n¯‚k > 60 6E AF 82 6B 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000016B82AF6240, 16 bytes long.
Data: <@U¯‚k > 40 55 AF 82 6B 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000016B82AF5540, 40 bytes long.
Data: <@b¯‚k pW¯‚k > 40 62 AF 82 6B 01 00 00 70 57 AF 82 6B 01 00 00
{263} normal block at 0x0000016B82AF6970, 16 bytes long.
Data: <@n¯‚k > 40 6E AF 82 6B 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000016B82AF6880, 16 bytes long.
Data: < n¯‚k > 18 6E AF 82 6B 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000016B82AEFF20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000016B82AF6060, 16 bytes long.
Data: <ðm¯‚k > F0 6D AF 82 6B 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000016B82AF6DF0, 992 bytes long.
Data: <``¯‚k ÿ®‚k > 60 60 AF 82 6B 01 00 00 20 FF AE 82 6B 01 00 00
{95} normal block at 0x0000016B82AF0880, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000016B82AEDAE0, 16 bytes long.
Data: <Àõ®‚k > C0 F5 AE 82 6B 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000016B82AEF5C0, 40 bytes long.
Data: <àÚ®‚k ¯‚k > E0 DA AE 82 6B 01 00 00 80 08 AF 82 6B 01 00 00
{72} normal block at 0x0000016B82AEE760, 16 bytes long.
Data: < êø{ö > 80 EA F8 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000016B82AEE350, 16 bytes long.
Data: <@éø{ö > 40 E9 F8 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000016B82AEDE00, 16 bytes long.
Data: <øWõ{ö > F8 57 F5 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000016B82AEE120, 16 bytes long.
Data: <ØWõ{ö > D8 57 F5 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000016B82AEDD60, 16 bytes long.
Data: <P õ{ö > 50 04 F5 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000016B82AEDCC0, 16 bytes long.
Data: <0 õ{ö > 30 04 F5 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000016B82AEDA40, 16 bytes long.
Data: <à õ{ö > E0 02 F5 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000016B82AEE7B0, 16 bytes long.
Data: < õ{ö > 10 04 F5 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000016B82AEDBD0, 16 bytes long.
Data: <p õ{ö > 70 04 F5 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000016B82AEE490, 16 bytes long.
Data: < Àó{ö > 18 C0 F3 7B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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