Task 38688838
| Name | test_609-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND8489_0 |
| Workunit | 31630147 |
| Created | 28 Oct 2026, 16:29:12 UTC |
| Sent | 28 Oct 2026, 16:29:17 UTC |
| Report deadline | 2 Nov 2026, 16:29:17 UTC |
| Received | 28 Oct 2026, 18:41:08 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651581 |
| Run time | 2 hours 6 min 49 sec |
| CPU time | 1 hours 53 min 1 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,377.36 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 668.88 MB |
| Peak swap size | 5.17 GB |
| Peak disk usage | 3.78 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:35:45 (26600): wrapper (7.9.26016): starting
17:35:45 (26600): 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
17:35:47 (26600): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:35:47 (26600): 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\3\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\3\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
19:40:30 (26600): C:/Windows/system32/cmd.exe exited; CPU time 6781.343750
19:40:30 (26600): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 129821879 bytes.
Dumping objects ->
{3835364} normal block at 0x000001D2BEF32D80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835353} normal block at 0x000001D2BEF32BC0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835342} normal block at 0x000001D2BEF32760, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835331} normal block at 0x000001D2BEF332C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835320} normal block at 0x000001D2BEF0E310, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835289} normal block at 0x000001D2C0C72B50, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835278} normal block at 0x000001D2C0C88420, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835275} normal block at 0x000001D2BEED9FF0, 8 bytes long.
Data: < 9¿Ò > 00 00 39 BF D2 01 00 00
{3834617} normal block at 0x000001D2C0C87DF0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x000001D2BEED9F50, 8 bytes long.
Data: <@/ÌÀÒ > 40 2F CC C0 D2 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001D2BEE9CCF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D2BEE96E00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001D2BEF0F0D0, 16 bytes long.
Data: <Èëð¾Ò > C8 EB F0 BE D2 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D2BEF0EFE0, 16 bytes long.
Data: < ëð¾Ò > A0 EB F0 BE D2 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D2BEED9800, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001D2BEF0FB70, 16 bytes long.
Data: <xëð¾Ò > 78 EB F0 BE D2 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D2BEF0FB20, 16 bytes long.
Data: <Pëð¾Ò > 50 EB F0 BE D2 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D2BEF0F710, 16 bytes long.
Data: <(ëð¾Ò > 28 EB F0 BE D2 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D2BEF0F440, 16 bytes long.
Data: < ëð¾Ò > 00 EB F0 BE D2 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D2BEF0E380, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001D2BEF0F080, 16 bytes long.
Data: <èñè¾Ò > E8 F1 E8 BE D2 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D2BEED9380, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001D2BEF0F8A0, 16 bytes long.
Data: <Àñè¾Ò > C0 F1 E8 BE D2 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D2BEF0EDB0, 16 bytes long.
Data: < ñè¾Ò > 98 F1 E8 BE D2 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D2BEF0F170, 16 bytes long.
Data: <pñè¾Ò > 70 F1 E8 BE D2 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D2BEF0EEA0, 16 bytes long.
Data: <Hñè¾Ò > 48 F1 E8 BE D2 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D2BEF0EE00, 16 bytes long.
Data: < ñè¾Ò > 20 F1 E8 BE D2 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D2BEF0F530, 16 bytes long.
Data: <øðè¾Ò > F8 F0 E8 BE D2 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D2BEED90E0, 32 bytes long.
Data: <CUDA_DEVICE=2 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 32 00 50 55
{276} normal block at 0x000001D2BEF0EF90, 16 bytes long.
Data: <Ððè¾Ò > D0 F0 E8 BE D2 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D2BEE8F0D0, 320 bytes long.
Data: < ïð¾Ò à í¾Ò > 90 EF F0 BE D2 01 00 00 E0 90 ED BE D2 01 00 00
{274} normal block at 0x000001D2BEF0F3A0, 16 bytes long.
Data: <àêð¾Ò > E0 EA F0 BE D2 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D2BEF0F850, 16 bytes long.
Data: <¸êð¾Ò > B8 EA F0 BE D2 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D2BEED96E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001D2BEF0ED60, 16 bytes long.
Data: < êð¾Ò > 90 EA F0 BE D2 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D2BEED9680, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001D2BEF0FBC0, 16 bytes long.
Data: <Øéð¾Ò > D8 E9 F0 BE D2 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D2BEF0F7B0, 16 bytes long.
Data: <°éð¾Ò > B0 E9 F0 BE D2 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D2BEF0F490, 16 bytes long.
Data: < éð¾Ò > 88 E9 F0 BE D2 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D2BEF0F6C0, 16 bytes long.
Data: <`éð¾Ò > 60 E9 F0 BE D2 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D2BEF0EEF0, 16 bytes long.
Data: <8éð¾Ò > 38 E9 F0 BE D2 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D2BEED9A50, 16 bytes long.
Data: < éð¾Ò > 10 E9 F0 BE D2 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D2BEED9CD0, 16 bytes long.
Data: < ßð¾Ò > 90 DF F0 BE D2 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D2BEF0DF90, 40 bytes long.
Data: <Ðœí¾Ò P+ÇÀÒ > D0 9C ED BE D2 01 00 00 50 2B C7 C0 D2 01 00 00
{260} normal block at 0x000001D2BEED99B0, 16 bytes long.
Data: <ðèð¾Ò > F0 E8 F0 BE D2 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D2BEEDA680, 16 bytes long.
Data: <Èèð¾Ò > C8 E8 F0 BE D2 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001D2BEED8FC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001D2BEED9960, 16 bytes long.
Data: < èð¾Ò > A0 E8 F0 BE D2 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001D2BEF0E8A0, 992 bytes long.
Data: <` í¾Ò Àí¾Ò > 60 99 ED BE D2 01 00 00 C0 8F ED BE D2 01 00 00
{92} normal block at 0x000001D2BEED9560, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001D2BEEDA4A0, 16 bytes long.
Data: < ßð¾Ò > 20 DF F0 BE D2 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001D2BEF0DF20, 40 bytes long.
Data: < ¤í¾Ò `•í¾Ò > A0 A4 ED BE D2 01 00 00 60 95 ED BE D2 01 00 00
{69} normal block at 0x000001D2BEED9DC0, 16 bytes long.
Data: < ê¬nö > 80 EA AC 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D2BEEDA400, 16 bytes long.
Data: <@é¬nö > 40 E9 AC 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D2BEED9EB0, 16 bytes long.
Data: <øW©nö > F8 57 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D2BEEDA310, 16 bytes long.
Data: <ØW©nö > D8 57 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D2BEEDA2C0, 16 bytes long.
Data: <P ©nö > 50 04 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D2BEED9D70, 16 bytes long.
Data: <0 ©nö > 30 04 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D2BEEDA180, 16 bytes long.
Data: <à ©nö > E0 02 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001D2BEEDA130, 16 bytes long.
Data: < ©nö > 10 04 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001D2BEEDA090, 16 bytes long.
Data: <p ©nö > 70 04 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001D2BEEDA3B0, 16 bytes long.
Data: < À§nö > 18 C0 A7 6E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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