Task 38674159

Name test_850-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND0323_0
Workunit 31616205
Created 26 Oct 2026, 4:28:23 UTC
Sent 26 Oct 2026, 4:28:26 UTC
Report deadline 31 Oct 2026, 4:28:26 UTC
Received 26 Oct 2026, 5:34:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609406
Run time 1 hours 3 min 27 sec
CPU time 1 hours 0 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,072.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 718.09 MB
Peak swap size 9.75 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:30:49 (16920): wrapper (7.9.26016): starting
21:30:49 (16920): 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
21:30:51 (16920): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:30:51 (16920): 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
22:32:49 (16920): C:/Windows/system32/cmd.exe exited; CPU time 3611.828125
22:32:49 (16920): 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: 76547939 bytes.
Dumping objects ->
{3835195} normal block at 0x00000143B012E9C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x00000143B012EE20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x00000143B012E950, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835162} normal block at 0x00000143AE435D80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835151} normal block at 0x00000143AE435920, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835120} normal block at 0x00000143B0218710, 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) : {3835107} normal block at 0x00000143AE42F630, 8 bytes long.
 Data: <  &#133;&#174;C   > 00 00 85 AE 43 01 00 00 
{3833957} normal block at 0x00000143AE430300, 8 bytes long.
 Data: <0RC&#174;C   > 30 52 43 AE 43 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000143AE4318D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000143AE427110, 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 0x00000143AE436940, 16 bytes long.
 Data: < cC&#174;C           > 98 63 43 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000143AE4368F0, 16 bytes long.
 Data: <pcC&#174;C           > 70 63 43 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000143AE430EC0, 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 0x00000143AE437250, 16 bytes long.
 Data: <HcC&#174;C           > 48 63 43 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000143AE436800, 16 bytes long.
 Data: < cC&#174;C           > 20 63 43 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000143AE436AD0, 16 bytes long.
 Data: <&#248;bC&#174;C           > F8 62 43 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000143AE436DA0, 16 bytes long.
 Data: <&#208;bC&#174;C           > D0 62 43 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000143AE435BC0, 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 0x00000143AE436530, 16 bytes long.
 Data: <&#168;&#181;A&#174;C           > A8 B5 41 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000143AE430B00, 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 0x00000143AE437430, 16 bytes long.
 Data: < &#181;A&#174;C           > 80 B5 41 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000143AE436D50, 16 bytes long.
 Data: <X&#181;A&#174;C           > 58 B5 41 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000143AE436CB0, 16 bytes long.
 Data: <0&#181;A&#174;C           > 30 B5 41 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000143AE436C60, 16 bytes long.
 Data: < &#181;A&#174;C           > 08 B5 41 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000143AE436710, 16 bytes long.
 Data: <&#224;&#180;A&#174;C           > E0 B4 41 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000143AE437200, 16 bytes long.
 Data: <&#184;&#180;A&#174;C           > B8 B4 41 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000143AE430AA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000143AE4370C0, 16 bytes long.
 Data: < &#180;A&#174;C           > 90 B4 41 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000143AE41B490, 320 bytes long.
 Data: <&#192;pC&#174;C   &#160; C&#174;C   > C0 70 43 AE 43 01 00 00 A0 0A 43 AE 43 01 00 00 
{274} normal block at 0x00000143AE436E90, 16 bytes long.
 Data: <&#176;bC&#174;C           > B0 62 43 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000143AE4371B0, 16 bytes long.
 Data: < bC&#174;C           > 88 62 43 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000143AE430800, 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 0x00000143AE436A30, 16 bytes long.
 Data: <`bC&#174;C           > 60 62 43 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000143AE430CE0, 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 0x00000143AE436B70, 16 bytes long.
 Data: <&#168;aC&#174;C           > A8 61 43 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000143AE4364E0, 16 bytes long.
 Data: < aC&#174;C           > 80 61 43 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000143AE436A80, 16 bytes long.
 Data: <XaC&#174;C           > 58 61 43 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000143AE4373E0, 16 bytes long.
 Data: <0aC&#174;C           > 30 61 43 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000143AE436D00, 16 bytes long.
 Data: < aC&#174;C           > 08 61 43 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000143AE42FC70, 16 bytes long.
 Data: <&#224;`C&#174;C           > E0 60 43 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000143AE430210, 16 bytes long.
 Data: <P[C&#174;C           > 50 5B 43 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000143AE435B50, 40 bytes long.
 Data: <  C&#174;C    &#135;!&#176;C   > 10 02 43 AE 43 01 00 00 10 87 21 B0 43 01 00 00 
{260} normal block at 0x00000143AE430170, 16 bytes long.
 Data: <&#192;`C&#174;C           > C0 60 43 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000143AE42FA90, 16 bytes long.
 Data: < `C&#174;C           > 98 60 43 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000143AE430C80, 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 0x00000143AE42F4F0, 16 bytes long.
 Data: <p`C&#174;C           > 70 60 43 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000143AE436070, 992 bytes long.
 Data: <&#240;&#244;B&#174;C     C&#174;C   > F0 F4 42 AE 43 01 00 00 80 0C 43 AE 43 01 00 00 
{92} normal block at 0x00000143AE4310A0, 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 0x00000143AE42F680, 16 bytes long.
 Data: < ZC&#174;C           > 00 5A 43 AE 43 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000143AE435A00, 40 bytes long.
 Data: < &#246;B&#174;C   &#160; C&#174;C   > 80 F6 42 AE 43 01 00 00 A0 10 43 AE 43 01 00 00 
{69} normal block at 0x00000143AE430440, 16 bytes long.
 Data: < &#234;{&#199;&#247;           > 80 EA 7B C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000143AE42FAE0, 16 bytes long.
 Data: <@&#233;{&#199;&#247;           > 40 E9 7B C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000143AE42FD10, 16 bytes long.
 Data: <&#248;Wx&#199;&#247;           > F8 57 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000143AE42FBD0, 16 bytes long.
 Data: <&#216;Wx&#199;&#247;           > D8 57 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000143AE42FFE0, 16 bytes long.
 Data: <P x&#199;&#247;           > 50 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000143AE42F900, 16 bytes long.
 Data: <0 x&#199;&#247;           > 30 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000143AE430120, 16 bytes long.
 Data: <&#224; x&#199;&#247;           > E0 02 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000143AE42F590, 16 bytes long.
 Data: <  x&#199;&#247;           > 10 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000143AE42FC20, 16 bytes long.
 Data: <p x&#199;&#247;           > 70 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000143AE42F540, 16 bytes long.
 Data: < &#192;v&#199;&#247;           > 18 C0 76 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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