Task 38668869
| Name | test_244-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND7641_0 |
| Workunit | 31611293 |
| Created | 25 Oct 2026, 12:59:24 UTC |
| Sent | 25 Oct 2026, 12:59:29 UTC |
| Report deadline | 30 Oct 2026, 12:59:29 UTC |
| Received | 25 Oct 2026, 18:10:14 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652765 |
| Run time | 1 hours 18 min 59 sec |
| CPU time | 1 hours 17 min 29 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,156.44 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 725.55 MB |
| Peak swap size | 12.75 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:53:21 (12392): wrapper (7.9.26016): starting
17:53:21 (12392): 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
17:53:25 (12392): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:53:25 (12392): 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
19:09:38 (12392): C:/Windows/system32/cmd.exe exited; CPU time 4649.750000
19:09:38 (12392): 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: 54353239 bytes.
Dumping objects ->
{3835186} normal block at 0x000001D9D6BF4790, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835175} normal block at 0x000001D9D6BF4560, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835164} normal block at 0x000001D9D6BF4720, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835153} normal block at 0x000001D9D6BF46B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835142} normal block at 0x000001D9D6BF44F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835111} normal block at 0x000001D9D89A73F0, 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) : {3835098} normal block at 0x000001D9D6BEFFB0, 8 bytes long.
Data: < ×Ù > 00 00 08 D7 D9 01 00 00
{3833951} normal block at 0x000001D9D6BEF920, 8 bytes long.
Data: <0B ØÙ > 30 42 A0 D8 D9 01 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001D9D6BF02F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D9D6BDF520, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000001D9D6BF5F30, 16 bytes long.
Data: <øR¿ÖÙ > F8 52 BF D6 D9 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D9D6BF5620, 16 bytes long.
Data: <ÐR¿ÖÙ > D0 52 BF D6 D9 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D9D6BEE5F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000001D9D6BF6020, 16 bytes long.
Data: <¨R¿ÖÙ > A8 52 BF D6 D9 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D9D6BF5E40, 16 bytes long.
Data: < R¿ÖÙ > 80 52 BF D6 D9 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D9D6BF58F0, 16 bytes long.
Data: <XR¿ÖÙ > 58 52 BF D6 D9 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D9D6BF5850, 16 bytes long.
Data: <0R¿ÖÙ > 30 52 BF D6 D9 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D9D6BF4870, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000001D9D6BF57B0, 16 bytes long.
Data: <ø ¾ÖÙ > F8 00 BE D6 D9 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D9D6BEE350, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000001D9D6BF5A80, 16 bytes long.
Data: <Ð ¾ÖÙ > D0 00 BE D6 D9 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D9D6BF5DF0, 16 bytes long.
Data: <¨ ¾ÖÙ > A8 00 BE D6 D9 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D9D6BF5440, 16 bytes long.
Data: < ¾ÖÙ > 80 00 BE D6 D9 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D9D6BF58A0, 16 bytes long.
Data: <X ¾ÖÙ > 58 00 BE D6 D9 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D9D6BF5D00, 16 bytes long.
Data: <0 ¾ÖÙ > 30 00 BE D6 D9 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D9D6BF5F80, 16 bytes long.
Data: < ¾ÖÙ > 08 00 BE D6 D9 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D9D6BEE830, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000001D9D6BF59E0, 16 bytes long.
Data: <àÿ½ÖÙ > E0 FF BD D6 D9 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D9D6BDFFE0, 320 bytes long.
Data: <àY¿ÖÙ 0è¾ÖÙ > E0 59 BF D6 D9 01 00 00 30 E8 BE D6 D9 01 00 00
{271} normal block at 0x000001D9D6BF6160, 16 bytes long.
Data: < R¿ÖÙ > 10 52 BF D6 D9 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D9D6BF5490, 16 bytes long.
Data: <èQ¿ÖÙ > E8 51 BF D6 D9 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D9D6BEE770, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000001D9D6BF5710, 16 bytes long.
Data: <ÀQ¿ÖÙ > C0 51 BF D6 D9 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D9D6BEEEF0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000001D9D6BF56C0, 16 bytes long.
Data: < Q¿ÖÙ > 08 51 BF D6 D9 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D9D6BF5BC0, 16 bytes long.
Data: <àP¿ÖÙ > E0 50 BF D6 D9 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D9D6BF5CB0, 16 bytes long.
Data: <¸P¿ÖÙ > B8 50 BF D6 D9 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001D9D6BEF6A0, 16 bytes long.
Data: < P¿ÖÙ > 90 50 BF D6 D9 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D9D6BEF600, 16 bytes long.
Data: <hP¿ÖÙ > 68 50 BF D6 D9 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D9D6BEF330, 16 bytes long.
Data: <@P¿ÖÙ > 40 50 BF D6 D9 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D9D6BEF2E0, 16 bytes long.
Data: <ÀI¿ÖÙ > C0 49 BF D6 D9 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001D9D6BF49C0, 40 bytes long.
Data: <àò¾ÖÙ ðsšØÙ > E0 F2 BE D6 D9 01 00 00 F0 73 9A D8 D9 01 00 00
{257} normal block at 0x000001D9D6BEF7E0, 16 bytes long.
Data: < P¿ÖÙ > 20 50 BF D6 D9 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001D9D6BEF0B0, 16 bytes long.
Data: <øO¿ÖÙ > F8 4F BF D6 D9 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001D9D6BEE530, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000001D9D6BEFF60, 16 bytes long.
Data: <ÐO¿ÖÙ > D0 4F BF D6 D9 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001D9D6BF4FD0, 992 bytes long.
Data: <`ÿ¾ÖÙ 0å¾ÖÙ > 60 FF BE D6 D9 01 00 00 30 E5 BE D6 D9 01 00 00
{89} normal block at 0x000001D9D6BEECB0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000001D9D6BEF150, 16 bytes long.
Data: < À½ÖÙ > A0 C0 BD D6 D9 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000001D9D6BDC0A0, 40 bytes long.
Data: <Pñ¾ÖÙ °ì¾ÖÙ > 50 F1 BE D6 D9 01 00 00 B0 EC BE D6 D9 01 00 00
{66} normal block at 0x000001D9D6BEFCE0, 16 bytes long.
Data: < êQÃ÷ > 80 EA 51 C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D9D6BEFC40, 16 bytes long.
Data: <@éQÃ÷ > 40 E9 51 C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D9D6BEFB00, 16 bytes long.
Data: <øWNÃ÷ > F8 57 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D9D6BEF1A0, 16 bytes long.
Data: <ØWNÃ÷ > D8 57 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001D9D6BEF380, 16 bytes long.
Data: <P NÃ÷ > 50 04 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001D9D6BEFAB0, 16 bytes long.
Data: <0 NÃ÷ > 30 04 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001D9D6BEF9C0, 16 bytes long.
Data: <à NÃ÷ > E0 02 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001D9D6BEF970, 16 bytes long.
Data: < NÃ÷ > 10 04 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001D9D6BEF100, 16 bytes long.
Data: <p NÃ÷ > 70 04 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001D9D6BEFA60, 16 bytes long.
Data: < ÀLÃ÷ > 18 C0 4C C3 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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