Task 38684034

Name test_255-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND7006_0
Workunit 31625563
Created 27 Oct 2026, 14:27:00 UTC
Sent 27 Oct 2026, 14:27:07 UTC
Report deadline 1 Nov 2026, 14:27:07 UTC
Received 27 Oct 2026, 16:35:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652152
Run time 1 hours 6 min 15 sec
CPU time 57 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,462.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 679.21 MB
Peak swap size 5.26 GB
Peak disk usage 3.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:31:05 (14600): wrapper (7.9.26016): starting
11:31:05 (14600): 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
11:31:08 (14600): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:31:08 (14600): 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\14\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\14\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
12:34:42 (14600): C:/Windows/system32/cmd.exe exited; CPU time 3467.921875
12:34:42 (14600): 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: 61383977 bytes.
Dumping objects ->
{3842615} normal block at 0x00000216B7011490, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3842604} normal block at 0x00000216B7011AB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3842593} normal block at 0x00000216B7011DC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3842582} normal block at 0x00000216B7011340, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3842571} normal block at 0x00000216B70115E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3842540} normal block at 0x00000216B7107D30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3842529} normal block at 0x00000216B711F5D0, 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) : {3842526} normal block at 0x00000216B55985C0, 8 bytes long.
 Data: <  V&#181;    > 00 00 56 B5 16 02 00 00 
{3841888} normal block at 0x00000216B711F520, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3841268} normal block at 0x00000216B5598570, 8 bytes long.
 Data: <&#176;I &#183;    > B0 49 19 B7 16 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000216B55A1D00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000216B5586A40, 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 0x00000216B55A2ED0, 16 bytes long.
 Data: < TZ&#181;            > 88 54 5A B5 16 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000216B55A2E80, 16 bytes long.
 Data: <`TZ&#181;            > 60 54 5A B5 16 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000216B559D550, 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 0x00000216B55A2E30, 16 bytes long.
 Data: <8TZ&#181;            > 38 54 5A B5 16 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000216B55A3C90, 16 bytes long.
 Data: < TZ&#181;            > 10 54 5A B5 16 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000216B55A3C40, 16 bytes long.
 Data: <&#232;SZ&#181;            > E8 53 5A B5 16 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000216B55A3880, 16 bytes long.
 Data: <&#192;SZ&#181;            > C0 53 5A B5 16 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000216B559CD20, 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 0x00000216B55A3830, 16 bytes long.
 Data: <&#216;iX&#181;            > D8 69 58 B5 16 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000216B559D3D0, 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 0x00000216B55A37E0, 16 bytes long.
 Data: <&#176;iX&#181;            > B0 69 58 B5 16 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000216B55A3AB0, 16 bytes long.
 Data: < iX&#181;            > 88 69 58 B5 16 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000216B55A3790, 16 bytes long.
 Data: <`iX&#181;            > 60 69 58 B5 16 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000216B55A31A0, 16 bytes long.
 Data: <8iX&#181;            > 38 69 58 B5 16 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000216B55A2D90, 16 bytes long.
 Data: < iX&#181;            > 10 69 58 B5 16 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000216B55A3420, 16 bytes long.
 Data: <&#232;hX&#181;            > E8 68 58 B5 16 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000216B559CE30, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{279} normal block at 0x00000216B55A35B0, 16 bytes long.
 Data: <&#192;hX&#181;            > C0 68 58 B5 16 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000216B55868C0, 320 bytes long.
 Data: <&#176;5Z&#181;    0&#206;Y&#181;    > B0 35 5A B5 16 02 00 00 30 CE 59 B5 16 02 00 00 
{277} normal block at 0x00000216B55A3BA0, 16 bytes long.
 Data: <&#160;SZ&#181;            > A0 53 5A B5 16 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000216B55A3A10, 16 bytes long.
 Data: <xSZ&#181;            > 78 53 5A B5 16 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000216B559DD30, 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 0x00000216B55A39C0, 16 bytes long.
 Data: <PSZ&#181;            > 50 53 5A B5 16 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000216B559D370, 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 0x00000216B55A32E0, 16 bytes long.
 Data: < RZ&#181;            > 98 52 5A B5 16 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000216B55A2F20, 16 bytes long.
 Data: <pRZ&#181;            > 70 52 5A B5 16 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000216B55A31F0, 16 bytes long.
 Data: <HRZ&#181;            > 48 52 5A B5 16 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000216B55A3A60, 16 bytes long.
 Data: < RZ&#181;            > 20 52 5A B5 16 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000216B55A36A0, 16 bytes long.
 Data: <&#248;QZ&#181;            > F8 51 5A B5 16 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000216B55A3600, 16 bytes long.
 Data: <&#208;QZ&#181;            > D0 51 5A B5 16 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000216B55A3BF0, 16 bytes long.
 Data: <&#176;&#204;Y&#181;            > B0 CC 59 B5 16 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000216B559CCB0, 40 bytes long.
 Data: <&#240;;Z&#181;    0} &#183;    > F0 3B 5A B5 16 02 00 00 30 7D 10 B7 16 02 00 00 
{263} normal block at 0x00000216B55A2F70, 16 bytes long.
 Data: <&#176;QZ&#181;            > B0 51 5A B5 16 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000216B55A3650, 16 bytes long.
 Data: < QZ&#181;            > 88 51 5A B5 16 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000216B559D310, 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 0x00000216B55A3560, 16 bytes long.
 Data: <`QZ&#181;            > 60 51 5A B5 16 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000216B55A5160, 992 bytes long.
 Data: <`5Z&#181;     &#211;Y&#181;    > 60 35 5A B5 16 02 00 00 10 D3 59 B5 16 02 00 00 
{95} normal block at 0x00000216B559CE90, 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 0x00000216B5597AD0, 16 bytes long.
 Data: <&#224;&#199;Y&#181;            > E0 C7 59 B5 16 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000216B559C7E0, 40 bytes long.
 Data: <&#208;zY&#181;     &#206;Y&#181;    > D0 7A 59 B5 16 02 00 00 90 CE 59 B5 16 02 00 00 
{72} normal block at 0x00000216B5597C60, 16 bytes long.
 Data: < &#234;"&#204;&#247;           > 80 EA 22 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000216B5597E40, 16 bytes long.
 Data: <@&#233;"&#204;&#247;           > 40 E9 22 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000216B5597A80, 16 bytes long.
 Data: <&#248;W &#204;&#247;           > F8 57 1F CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000216B5597990, 16 bytes long.
 Data: <&#216;W &#204;&#247;           > D8 57 1F CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000216B5597FD0, 16 bytes long.
 Data: <P  &#204;&#247;           > 50 04 1F CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000216B55983E0, 16 bytes long.
 Data: <0  &#204;&#247;           > 30 04 1F CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000216B5598160, 16 bytes long.
 Data: <&#224;  &#204;&#247;           > E0 02 1F CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000216B5598250, 16 bytes long.
 Data: <   &#204;&#247;           > 10 04 1F CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000216B55979E0, 16 bytes long.
 Data: <p  &#204;&#247;           > 70 04 1F CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000216B55978A0, 16 bytes long.
 Data: < &#192; &#204;&#247;           > 18 C0 1D CC F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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