Task 38683791
| Name | test_447-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND3370_0 |
| Workunit | 31625336 |
| Created | 27 Oct 2026, 13:20:14 UTC |
| Sent | 27 Oct 2026, 13:20:20 UTC |
| Report deadline | 1 Nov 2026, 13:20:20 UTC |
| Received | 27 Oct 2026, 14:02:39 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630739 |
| Run time | 41 min 6 sec |
| CPU time | 38 min |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,302.18 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 729.09 MB |
| Peak swap size | 11.39 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:22:47 (20976): wrapper (7.9.26016): starting
09:22:47 (20976): 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
09:22:49 (20976): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:22:49 (20976): 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\28\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\28\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
10:02:05 (20976): C:/Windows/system32/cmd.exe exited; CPU time 2280.609375
10:02:05 (20976): 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: 49061011 bytes.
Dumping objects ->
{3835284} normal block at 0x0000024DA87BDE30, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835273} normal block at 0x0000024DA6A34970, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835262} normal block at 0x0000024DA6A34900, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835251} normal block at 0x0000024DA6A34890, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835240} normal block at 0x0000024DA6A34820, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835209} normal block at 0x0000024DA880B600, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835198} normal block at 0x0000024DA881EF70, 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) : {3835195} normal block at 0x0000024DA6A30090, 8 bytes long.
Data: < ð¦M > 00 00 F0 A6 4D 02 00 00
{3834571} normal block at 0x0000024DA881F020, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x0000024DA6A2FEB0, 8 bytes long.
Data: < 9†¨M > 80 39 86 A8 4D 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000024DA6A264C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000024DA6A27670, 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 0x0000024DA6A360A0, 16 bytes long.
Data: < g£¦M > 08 67 A3 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000024DA6A355B0, 16 bytes long.
Data: <àf£¦M > E0 66 A3 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000024DA6A30FE0, 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 0x0000024DA6A357E0, 16 bytes long.
Data: <¸f£¦M > B8 66 A3 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024DA6A35A10, 16 bytes long.
Data: < f£¦M > 90 66 A3 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024DA6A35A60, 16 bytes long.
Data: <hf£¦M > 68 66 A3 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024DA6A35EC0, 16 bytes long.
Data: <@f£¦M > 40 66 A3 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024DA6A34A50, 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 0x0000024DA6A35510, 16 bytes long.
Data: <øŸ¢¦M > F8 9F A2 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024DA6A31340, 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 0x0000024DA6A35BA0, 16 bytes long.
Data: <П¢¦M > D0 9F A2 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024DA6A35970, 16 bytes long.
Data: <¨Ÿ¢¦M > A8 9F A2 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024DA6A36000, 16 bytes long.
Data: < Ÿ¢¦M > 80 9F A2 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024DA6A35880, 16 bytes long.
Data: <XŸ¢¦M > 58 9F A2 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024DA6A36230, 16 bytes long.
Data: <0Ÿ¢¦M > 30 9F A2 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024DA6A354C0, 16 bytes long.
Data: < Ÿ¢¦M > 08 9F A2 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024DA6A30980, 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 0x0000024DA6A35DD0, 16 bytes long.
Data: <àž¢¦M > E0 9E A2 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024DA6A29EE0, 320 bytes long.
Data: <Ð]£¦M £¦M > D0 5D A3 A6 4D 02 00 00 80 09 A3 A6 4D 02 00 00
{277} normal block at 0x0000024DA6A36140, 16 bytes long.
Data: < f£¦M > 20 66 A3 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024DA6A361E0, 16 bytes long.
Data: <øe£¦M > F8 65 A3 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024DA6A31520, 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 0x0000024DA6A35600, 16 bytes long.
Data: <Ðe£¦M > D0 65 A3 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024DA6A30D40, 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 0x0000024DA6A36370, 16 bytes long.
Data: < e£¦M > 18 65 A3 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024DA6A35F60, 16 bytes long.
Data: <ðd£¦M > F0 64 A3 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024DA6A36050, 16 bytes long.
Data: <Èd£¦M > C8 64 A3 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024DA6A35FB0, 16 bytes long.
Data: < d£¦M > A0 64 A3 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024DA6A35420, 16 bytes long.
Data: <xd£¦M > 78 64 A3 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024DA6A35B00, 16 bytes long.
Data: <Pd£¦M > 50 64 A3 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024DA6A35470, 16 bytes long.
Data: <0K£¦M > 30 4B A3 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024DA6A34B30, 40 bytes long.
Data: <pT£¦M ¶ ¨M > 70 54 A3 A6 4D 02 00 00 00 B6 80 A8 4D 02 00 00
{263} normal block at 0x0000024DA6A35B50, 16 bytes long.
Data: <0d£¦M > 30 64 A3 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024DA6A359C0, 16 bytes long.
Data: < d£¦M > 08 64 A3 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024DA6A30920, 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 0x0000024DA6A35BF0, 16 bytes long.
Data: <àc£¦M > E0 63 A3 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000024DA6A363E0, 992 bytes long.
Data: <ð[£¦M £¦M > F0 5B A3 A6 4D 02 00 00 20 09 A3 A6 4D 02 00 00
{95} normal block at 0x0000024DA6A30C80, 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 0x0000024DA6A30040, 16 bytes long.
Data: <`É¡¦M > 60 C9 A1 A6 4D 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000024DA6A1C960, 40 bytes long.
Data: <@ £¦M £¦M > 40 00 A3 A6 4D 02 00 00 80 0C A3 A6 4D 02 00 00
{72} normal block at 0x0000024DA6A304F0, 16 bytes long.
Data: < êg[ö > 80 EA 67 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000024DA6A303B0, 16 bytes long.
Data: <@ég[ö > 40 E9 67 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000024DA6A2F780, 16 bytes long.
Data: <øWd[ö > F8 57 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000024DA6A2F870, 16 bytes long.
Data: <ØWd[ö > D8 57 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024DA6A2FF50, 16 bytes long.
Data: <P d[ö > 50 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024DA6A2FA50, 16 bytes long.
Data: <0 d[ö > 30 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024DA6A2FD70, 16 bytes long.
Data: <à d[ö > E0 02 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024DA6A2FBE0, 16 bytes long.
Data: < d[ö > 10 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024DA6A2FAA0, 16 bytes long.
Data: <p d[ö > 70 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024DA6A2FB90, 16 bytes long.
Data: < Àb[ö > 18 C0 62 5B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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