Task 38646570
| Name | test_674-GPUGRID_TEST_ATM_1000_20261023-0-1-RND2573_0 |
| Workunit | 31591511 |
| Created | 23 Oct 2026, 16:40:26 UTC |
| Sent | 23 Oct 2026, 17:37:59 UTC |
| Report deadline | 28 Oct 2026, 17:37:59 UTC |
| Received | 23 Oct 2026, 19:53:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 615524 |
| Run time | 1 hours 45 min 11 sec |
| CPU time | 1 hours 43 min 24 sec |
| Validate state | Valid |
| Credit | 1,000.00 |
| Device peak FLOPS | 2,238.46 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 672.02 MB |
| Peak swap size | 5.20 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
03:05:30 (33656): wrapper (7.9.26016): starting
03:05:30 (33656): 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
03:05:31 (33656): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:05:31 (33656): 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\12\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\12\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
04:49:38 (33656): C:/Windows/system32/cmd.exe exited; CPU time 6204.843750
04:49:38 (33656): 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: 135909347 bytes.
Dumping objects ->
{3835350} normal block at 0x000001B65D9116B0, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835339} normal block at 0x000001B65DA52D40, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835328} normal block at 0x000001B65DA52200, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835317} normal block at 0x000001B65DA52140, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835306} normal block at 0x000001B65DA53160, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{3835275} normal block at 0x000001B65D910DF0, 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) : {3835262} normal block at 0x000001B65BA664E0, 8 bytes long.
Data: < >]¶ > 00 00 3E 5D B6 01 00 00
{3834045} normal block at 0x000001B65BA66490, 8 bytes long.
Data: < Y¥]¶ > 00 59 A5 5D B6 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001B65BA710B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B65BA71FF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000001B65BA72CD0, 16 bytes long.
Data: <Ø3§[¶ > D8 33 A7 5B B6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B65BA729B0, 16 bytes long.
Data: <°3§[¶ > B0 33 A7 5B B6 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B65BA6C6A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000001B65BA72910, 16 bytes long.
Data: < 3§[¶ > 88 33 A7 5B B6 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B65BA727D0, 16 bytes long.
Data: <`3§[¶ > 60 33 A7 5B B6 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B65BA72870, 16 bytes long.
Data: <83§[¶ > 38 33 A7 5B B6 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B65BA72FA0, 16 bytes long.
Data: < 3§[¶ > 10 33 A7 5B B6 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B65BA6A870, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000001B65BA72780, 16 bytes long.
Data: < §[¶ > 88 1F A7 5B B6 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B65BA6C940, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000001B65BA728C0, 16 bytes long.
Data: <` §[¶ > 60 1F A7 5B B6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B65BA72960, 16 bytes long.
Data: <8 §[¶ > 38 1F A7 5B B6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B65BA72FF0, 16 bytes long.
Data: < §[¶ > 10 1F A7 5B B6 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B65BA726E0, 16 bytes long.
Data: < §[¶ > E8 1E A7 5B B6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B65BA72AF0, 16 bytes long.
Data: <À §[¶ > C0 1E A7 5B B6 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B65BA72640, 16 bytes long.
Data: < §[¶ > 98 1E A7 5B B6 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B65BA6C1C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000001B65BA72E10, 16 bytes long.
Data: <p §[¶ > 70 1E A7 5B B6 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B65BA71E70, 320 bytes long.
Data: < .§[¶ ÀÁ¦[¶ > 10 2E A7 5B B6 01 00 00 C0 C1 A6 5B B6 01 00 00
{273} normal block at 0x000001B65BA72A00, 16 bytes long.
Data: < 2§[¶ > F0 32 A7 5B B6 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B65BA72AA0, 16 bytes long.
Data: <È2§[¶ > C8 32 A7 5B B6 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B65BA6C7C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000001B65BA72820, 16 bytes long.
Data: < 2§[¶ > A0 32 A7 5B B6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B65BA6C100, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000001B65BA725A0, 16 bytes long.
Data: < 1§[¶ > E8 31 A7 5B B6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B65BA72D20, 16 bytes long.
Data: <À1§[¶ > C0 31 A7 5B B6 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B65BA721E0, 16 bytes long.
Data: < 1§[¶ > 98 31 A7 5B B6 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B65BA72C30, 16 bytes long.
Data: <p1§[¶ > 70 31 A7 5B B6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B65BA72370, 16 bytes long.
Data: <H1§[¶ > 48 31 A7 5B B6 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B65BA72550, 16 bytes long.
Data: < 1§[¶ > 20 31 A7 5B B6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B65BA72320, 16 bytes long.
Data: <À©¦[¶ > C0 A9 A6 5B B6 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001B65BA6A9C0, 40 bytes long.
Data: < #§[¶ ]¶ > 20 23 A7 5B B6 01 00 00 F0 0D 91 5D B6 01 00 00
{259} normal block at 0x000001B65BA72DC0, 16 bytes long.
Data: < 1§[¶ > 00 31 A7 5B B6 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001B65BA72BE0, 16 bytes long.
Data: <Ø0§[¶ > D8 30 A7 5B B6 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001B65BA6BCE0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000001B65BA724B0, 16 bytes long.
Data: <°0§[¶ > B0 30 A7 5B B6 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001B65BA730B0, 992 bytes long.
Data: <°$§[¶ ¼¦[¶ > B0 24 A7 5B B6 01 00 00 E0 BC A6 5B B6 01 00 00
{91} normal block at 0x000001B65BA6C040, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000001B65BA65B80, 16 bytes long.
Data: < §¦[¶ > 90 A7 A6 5B B6 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001B65BA6A790, 40 bytes long.
Data: < [¦[¶ @À¦[¶ > 80 5B A6 5B B6 01 00 00 40 C0 A6 5B B6 01 00 00
{66} normal block at 0x000001B65BA66350, 16 bytes long.
Data: < > 80 EA 19 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B65BA66300, 16 bytes long.
Data: <@ > 40 E9 19 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B65BA65900, 16 bytes long.
Data: < W > F8 57 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B65BA65D60, 16 bytes long.
Data: <ØW > D8 57 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B65BA65A90, 16 bytes long.
Data: <P > 50 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001B65BA658B0, 16 bytes long.
Data: <0 > 30 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001B65BA65D10, 16 bytes long.
Data: < > E0 02 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001B65BA65CC0, 16 bytes long.
Data: < > 10 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001B65BA66080, 16 bytes long.
Data: <p > 70 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001B65BA65BD0, 16 bytes long.
Data: < À > 18 C0 14 99 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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